 running  128 mpi-ranks, with    1 threads/rank, on    1 nodes
 distrk:  each k-point on   32 cores,    4 groups
 distr:  one band on    1 cores,   32 groups
 vasp.6.4.3 19Mar24 (build Jun  3 2025 16:21:13) complex                         
 POSCAR found type information on POSCAR Ti
 POSCAR found :  1 types and       2 ions
 Reading from existing POTCAR
 scaLAPACK will be used
 Reading from existing POTCAR
 LDA part: xc-table for (Slater+PW92), standard interpolation
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ... GRIDC
 FFT: planning ... GRID_SOFT
 FFT: planning ... GRID
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.674822581097E+02    0.67482E+02   -0.17878E+04 10560   0.113E+03
DAV:   2    -0.163624936710E+02   -0.83845E+02   -0.83610E+02 14432   0.137E+02
DAV:   3    -0.174606298224E+02   -0.10981E+01   -0.10975E+01 11040   0.188E+01
DAV:   4    -0.174929216800E+02   -0.32292E-01   -0.32291E-01 17408   0.169E+00
DAV:   5    -0.174930010265E+02   -0.79346E-04   -0.79347E-04 11520   0.548E-02    0.118E+01
DAV:   6    -0.154405510974E+02    0.20524E+01   -0.89874E+00 11008   0.166E+01    0.304E+00
DAV:   7    -0.154329485451E+02    0.76026E-02   -0.19540E-01 13888   0.214E+00    0.183E+00
DAV:   8    -0.154532641899E+02   -0.20316E-01   -0.86836E-02 10560   0.176E+00    0.123E-01
DAV:   9    -0.154530765444E+02    0.18765E-03   -0.39909E-03 13760   0.378E-01    0.113E-01
DAV:  10    -0.154532229026E+02   -0.14636E-03   -0.65331E-04 10944   0.115E-01    0.158E-02
DAV:  11    -0.154532087740E+02    0.14129E-04   -0.12279E-05 13024   0.227E-02    0.488E-03
DAV:  12    -0.154532095264E+02   -0.75246E-06   -0.19416E-06 14656   0.433E-03    0.136E-03
DAV:  13    -0.154532099206E+02   -0.39418E-06   -0.12330E-07 11584   0.171E-03    0.283E-04
DAV:  14    -0.154532099431E+02   -0.22455E-07   -0.27610E-09  6272   0.333E-04
   1 F= -.15453210E+02 E0= -.15450389E+02  d E =-.564152E-02
 Found     1 degrees of freedom:
 Adding 6 more for cell shape distortion
 Finite differences POTIM= 0.00500 DOF=   7
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155002262973E+02   -0.47016E-01   -0.16011E+00 33024   0.899E+00    0.187E+00
DAV:   2    -0.154536943073E+02    0.46532E-01   -0.20356E-01 34432   0.257E+00    0.481E-01
DAV:   3    -0.154510595694E+02    0.26347E-02   -0.97775E-03 36384   0.397E-01    0.189E-01
DAV:   4    -0.154516496799E+02   -0.59011E-03   -0.40645E-03 41568   0.207E-01    0.108E-01
DAV:   5    -0.154521434557E+02   -0.49378E-03   -0.12631E-03 37088   0.117E-01    0.151E-02
DAV:   6    -0.154521436484E+02   -0.19268E-06   -0.18175E-05 27552   0.186E-02    0.701E-03
DAV:   7    -0.154521430563E+02    0.59210E-06   -0.16867E-06 36096   0.761E-03    0.205E-03
DAV:   8    -0.154521430393E+02    0.16988E-07   -0.11940E-07 27904   0.206E-03
   2 F= -.15452143E+02 E0= -.15449306E+02  d E =-.567394E-02
 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        1/  4
  Total:               1/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154646688251E+02   -0.12526E-01   -0.88106E-01 38464   0.642E+00    0.927E-01
DAV:   2    -0.154533051227E+02    0.11364E-01   -0.48651E-02 33280   0.126E+00    0.246E-01
DAV:   3    -0.154526489855E+02    0.65614E-03   -0.27973E-03 35008   0.219E-01    0.951E-02
DAV:   4    -0.154528065286E+02   -0.15754E-03   -0.96802E-04 41888   0.102E-01    0.517E-02
DAV:   5    -0.154529390017E+02   -0.13247E-03   -0.32495E-04 37600   0.567E-02    0.920E-03
DAV:   6    -0.154529393295E+02   -0.32785E-06   -0.42991E-06 27776   0.918E-03    0.387E-03
DAV:   7    -0.154529391256E+02    0.20395E-06   -0.59094E-07 33056   0.423E-03    0.143E-03
DAV:   8    -0.154529390456E+02    0.80000E-07   -0.39736E-08 25888   0.116E-03
   3 F= -.15452939E+02 E0= -.15450120E+02  d E =-.563752E-02
 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        2/  4
  Total:               2/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155003914870E+02   -0.47452E-01   -0.12796E+00 30848   0.796E+00    0.185E+00
DAV:   2    -0.154546974045E+02    0.45694E-01   -0.18693E-01 34464   0.250E+00    0.497E-01
DAV:   3    -0.154518685404E+02    0.28289E-02   -0.10055E-02 34752   0.414E-01    0.193E-01
DAV:   4    -0.154524464567E+02   -0.57792E-03   -0.40523E-03 41568   0.212E-01    0.102E-01
DAV:   5    -0.154529393855E+02   -0.49293E-03   -0.12714E-03 37024   0.115E-01    0.144E-02
DAV:   6    -0.154529386496E+02    0.73592E-06   -0.17322E-05 27680   0.183E-02    0.612E-03
DAV:   7    -0.154529381376E+02    0.51199E-06   -0.14960E-06 35520   0.727E-03    0.168E-03
DAV:   8    -0.154529380298E+02    0.10777E-06   -0.94221E-08 28096   0.191E-03    0.678E-04
DAV:   9    -0.154529382600E+02   -0.23017E-06   -0.10830E-07 33920   0.113E-03    0.171E-04
DAV:  10    -0.154529382842E+02   -0.24234E-07   -0.15380E-09 13248   0.210E-04
   4 F= -.15452938E+02 E0= -.15450095E+02  d E =-.568589E-02
 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        3/  4
  Total:               3/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154639848654E+02   -0.11047E-01   -0.98629E-01 37024   0.665E+00    0.937E-01
DAV:   2    -0.154525200057E+02    0.11465E-01   -0.49431E-02 31904   0.128E+00    0.251E-01
DAV:   3    -0.154518258927E+02    0.69411E-03   -0.28582E-03 35488   0.221E-01    0.964E-02
DAV:   4    -0.154519845749E+02   -0.15868E-03   -0.10048E-03 41440   0.105E-01    0.523E-02
DAV:   5    -0.154521179534E+02   -0.13338E-03   -0.31925E-04 37376   0.570E-02    0.894E-03
DAV:   6    -0.154521186442E+02   -0.69082E-06   -0.44930E-06 27328   0.893E-03    0.441E-03
DAV:   7    -0.154521184760E+02    0.16829E-06   -0.68437E-07 34016   0.489E-03    0.179E-03
DAV:   8    -0.154521183780E+02    0.97942E-07   -0.53467E-08 26624   0.132E-03
   5 F= -.15452118E+02 E0= -.15449248E+02  d E =-.573990E-02
 Finite differences progress:
  Degree of freedom:   1/  7
  Displacement:        4/  4
  Total:               4/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.156377555422E+02   -0.18564E+00   -0.47423E+00 30464   0.155E+01    0.354E+00
DAV:   2    -0.154644713204E+02    0.17328E+00   -0.79871E-01 36160   0.495E+00    0.720E-01
DAV:   3    -0.154543615405E+02    0.10110E-01   -0.30791E-02 38080   0.549E-01    0.276E-01
DAV:   4    -0.154532805811E+02    0.10810E-02   -0.12240E-02 39648   0.296E-01    0.204E-01
DAV:   5    -0.154523604917E+02    0.92009E-03   -0.71304E-03 35936   0.288E-01    0.370E-02
DAV:   6    -0.154522038773E+02    0.15661E-03   -0.97347E-05 27904   0.535E-02    0.115E-02
DAV:   7    -0.154521552214E+02    0.48656E-04   -0.61243E-06 40320   0.104E-02    0.129E-03
DAV:   8    -0.154521473918E+02    0.78296E-05   -0.99562E-08 34880   0.156E-03    0.558E-04
DAV:   9    -0.154521427027E+02    0.46892E-05   -0.13310E-08 17184   0.612E-04    0.800E-05
DAV:  10    -0.154521429028E+02   -0.20008E-06   -0.11372E-09 13472   0.221E-04    0.541E-05
DAV:  11    -0.154521428505E+02    0.52287E-07   -0.12184E-10 13216   0.850E-05
   6 F= -.15452143E+02 E0= -.15449306E+02  d E =-.567398E-02
 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        1/  4
  Total:               5/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154644995750E+02   -0.12357E-01   -0.84201E-01 35712   0.635E+00    0.925E-01
DAV:   2    -0.154533274990E+02    0.11172E-01   -0.50328E-02 33344   0.129E+00    0.245E-01
DAV:   3    -0.154526603501E+02    0.66715E-03   -0.26164E-03 36320   0.213E-01    0.952E-02
DAV:   4    -0.154528097596E+02   -0.14941E-03   -0.97670E-04 41696   0.102E-01    0.516E-02
DAV:   5    -0.154529392864E+02   -0.12953E-03   -0.32385E-04 37568   0.575E-02    0.797E-03
DAV:   6    -0.154529393388E+02   -0.52415E-07   -0.37519E-06 27232   0.835E-03    0.370E-03
DAV:   7    -0.154529391045E+02    0.23425E-06   -0.60481E-07 32448   0.409E-03    0.124E-03
DAV:   8    -0.154529390407E+02    0.63801E-07   -0.31393E-08 24832   0.106E-03
   7 F= -.15452939E+02 E0= -.15450120E+02  d E =-.563752E-02
 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        2/  4
  Total:               6/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155002667937E+02   -0.47328E-01   -0.13172E+00 30432   0.808E+00    0.185E+00
DAV:   2    -0.154547148582E+02    0.45552E-01   -0.18774E-01 33280   0.251E+00    0.498E-01
DAV:   3    -0.154518741135E+02    0.28407E-02   -0.10168E-02 34080   0.414E-01    0.194E-01
DAV:   4    -0.154524469351E+02   -0.57282E-03   -0.40626E-03 41504   0.213E-01    0.103E-01
DAV:   5    -0.154529393028E+02   -0.49237E-03   -0.12617E-03 37376   0.115E-01    0.143E-02
DAV:   6    -0.154529388163E+02    0.48642E-06   -0.15790E-05 27072   0.174E-02    0.660E-03
DAV:   7    -0.154529381511E+02    0.66524E-06   -0.19323E-06 34592   0.762E-03    0.185E-03
DAV:   8    -0.154529380298E+02    0.12135E-06   -0.97799E-08 28160   0.194E-03    0.535E-04
DAV:   9    -0.154529382582E+02   -0.22844E-06   -0.11464E-07 34112   0.110E-03    0.148E-04
DAV:  10    -0.154529382848E+02   -0.26661E-07   -0.16503E-09 13312   0.206E-04
   8 F= -.15452938E+02 E0= -.15450095E+02  d E =-.568589E-02
 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        3/  4
  Total:               7/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154639648281E+02   -0.11027E-01   -0.92977E-01 36448   0.648E+00    0.937E-01
DAV:   2    -0.154525239844E+02    0.11441E-01   -0.49513E-02 30720   0.129E+00    0.250E-01
DAV:   3    -0.154518267119E+02    0.69727E-03   -0.28352E-03 36640   0.220E-01    0.965E-02
DAV:   4    -0.154519847819E+02   -0.15807E-03   -0.10050E-03 41568   0.105E-01    0.521E-02
DAV:   5    -0.154521181286E+02   -0.13335E-03   -0.32296E-04 37728   0.572E-02    0.894E-03
DAV:   6    -0.154521186622E+02   -0.53355E-06   -0.43689E-06 27104   0.888E-03    0.434E-03
DAV:   7    -0.154521184733E+02    0.18882E-06   -0.70425E-07 33792   0.479E-03    0.176E-03
DAV:   8    -0.154521183769E+02    0.96486E-07   -0.52149E-08 26784   0.131E-03
   9 F= -.15452118E+02 E0= -.15449248E+02  d E =-.573990E-02
 Finite differences progress:
  Degree of freedom:   2/  7
  Displacement:        4/  4
  Total:               8/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155944700516E+02   -0.14235E+00   -0.46585E+00 28384   0.153E+01    0.352E+00
DAV:   2    -0.154392999213E+02    0.15517E+00   -0.79104E-01 34208   0.498E+00    0.718E-01
DAV:   3    -0.154394185218E+02   -0.11860E-03   -0.30884E-02 33856   0.581E-01    0.278E-01
DAV:   4    -0.154461938806E+02   -0.67754E-02   -0.11869E-02 41056   0.308E-01    0.201E-01
DAV:   5    -0.154518711146E+02   -0.56772E-02   -0.64613E-03 38016   0.278E-01    0.362E-02
DAV:   6    -0.154520912389E+02   -0.22012E-03   -0.88477E-05 26848   0.509E-02    0.107E-02
DAV:   7    -0.154521320963E+02   -0.40857E-04   -0.54067E-06 42048   0.110E-02    0.121E-03
DAV:   8    -0.154521389745E+02   -0.68781E-05   -0.69048E-08 33056   0.132E-03    0.265E-04
DAV:   9    -0.154521430032E+02   -0.40288E-05   -0.85784E-09 15136   0.406E-04    0.835E-05
DAV:  10    -0.154521428636E+02    0.13969E-06   -0.13757E-09 13312   0.203E-04    0.572E-05
DAV:  11    -0.154521428442E+02    0.19338E-07   -0.12350E-10 13152   0.764E-05
  10 F= -.15452143E+02 E0= -.15449306E+02  d E =-.567398E-02
 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        1/  4
  Total:               9/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154644988837E+02   -0.12356E-01   -0.90345E-01 35776   0.649E+00    0.922E-01
DAV:   2    -0.154533294507E+02    0.11169E-01   -0.50042E-02 31360   0.128E+00    0.246E-01
DAV:   3    -0.154526598949E+02    0.66956E-03   -0.26626E-03 36384   0.217E-01    0.937E-02
DAV:   4    -0.154528092832E+02   -0.14939E-03   -0.97398E-04 41280   0.102E-01    0.515E-02
DAV:   5    -0.154529396332E+02   -0.13035E-03   -0.33987E-04 37568   0.588E-02    0.758E-03
DAV:   6    -0.154529393674E+02    0.26572E-06   -0.38361E-06 26944   0.814E-03    0.378E-03
DAV:   7    -0.154529391305E+02    0.23698E-06   -0.74219E-07 33184   0.421E-03    0.156E-03
DAV:   8    -0.154529390449E+02    0.85564E-07   -0.43763E-08 26144   0.121E-03
  11 F= -.15452939E+02 E0= -.15450120E+02  d E =-.563751E-02
 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        2/  4
  Total:              10/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155003162873E+02   -0.47377E-01   -0.13017E+00 30912   0.801E+00    0.185E+00
DAV:   2    -0.154547021776E+02    0.45614E-01   -0.18659E-01 31232   0.250E+00    0.499E-01
DAV:   3    -0.154518656936E+02    0.28365E-02   -0.10484E-02 33600   0.420E-01    0.193E-01
DAV:   4    -0.154524435804E+02   -0.57789E-03   -0.40600E-03 41760   0.213E-01    0.103E-01
DAV:   5    -0.154529385935E+02   -0.49501E-03   -0.12426E-03 37184   0.114E-01    0.147E-02
DAV:   6    -0.154529390663E+02   -0.47281E-06   -0.16747E-05 27104   0.174E-02    0.740E-03
DAV:   7    -0.154529382300E+02    0.83633E-06   -0.23650E-06 33152   0.828E-03    0.261E-03
DAV:   8    -0.154529380501E+02    0.17986E-06   -0.13537E-07 27264   0.220E-03    0.401E-04
DAV:   9    -0.154529382540E+02   -0.20386E-06   -0.11352E-07 33376   0.101E-03    0.110E-04
DAV:  10    -0.154529382828E+02   -0.28800E-07   -0.16321E-09 13120   0.185E-04
  12 F= -.15452938E+02 E0= -.15450095E+02  d E =-.568589E-02
 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        3/  4
  Total:              11/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154639407711E+02   -0.11003E-01   -0.97744E-01 36896   0.667E+00    0.940E-01
DAV:   2    -0.154525152102E+02    0.11426E-01   -0.49955E-02 30112   0.129E+00    0.250E-01
DAV:   3    -0.154518232131E+02    0.69200E-03   -0.28309E-03 36480   0.221E-01    0.967E-02
DAV:   4    -0.154519839162E+02   -0.16070E-03   -0.10095E-03 41504   0.105E-01    0.524E-02
DAV:   5    -0.154521185898E+02   -0.13467E-03   -0.33899E-04 37536   0.586E-02    0.840E-03
DAV:   6    -0.154521186910E+02   -0.10119E-06   -0.42806E-06 27232   0.871E-03    0.421E-03
DAV:   7    -0.154521184843E+02    0.20667E-06   -0.78210E-07 33504   0.467E-03    0.196E-03
DAV:   8    -0.154521183770E+02    0.10737E-06   -0.63389E-08 26912   0.142E-03    0.278E-04
DAV:   9    -0.154521184654E+02   -0.88395E-07   -0.26671E-08 16256   0.490E-04
  13 F= -.15452118E+02 E0= -.15449249E+02  d E =-.573988E-02
 Finite differences progress:
  Degree of freedom:   3/  7
  Displacement:        4/  4
  Total:              12/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.155132728127E+02   -0.61154E-01   -0.21535E+00106912   0.103E+01    0.205E+00
DAV:   2    -0.154560339149E+02    0.57239E-01   -0.22117E-01 91776   0.269E+00    0.579E-01
DAV:   3    -0.154517606113E+02    0.42733E-02   -0.13676E-02105824   0.508E-01    0.214E-01
DAV:   4    -0.154522381035E+02   -0.47749E-03   -0.44445E-03120224   0.229E-01    0.112E-01
DAV:   5    -0.154527256120E+02   -0.48751E-03   -0.13589E-03110720   0.129E-01    0.238E-02
DAV:   6    -0.154527164944E+02    0.91176E-05   -0.25789E-05 77504   0.315E-02    0.793E-03
DAV:   7    -0.154527174625E+02   -0.96817E-06   -0.29464E-06 99136   0.856E-03    0.253E-03
DAV:   8    -0.154527172803E+02    0.18223E-06   -0.15569E-07 81472   0.266E-03    0.176E-04
DAV:   9    -0.154527172288E+02    0.51518E-07   -0.73482E-09 41024   0.428E-04
  14 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563254E-02
 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        1/  4
  Total:              13/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154556531460E+02   -0.29359E-02   -0.54771E-01104608   0.498E+00    0.381E-01
DAV:   2    -0.154535483613E+02    0.21048E-02   -0.63957E-03 76096   0.478E-01    0.159E-01
DAV:   3    -0.154530962386E+02    0.45212E-03   -0.14030E-03112320   0.186E-01    0.156E-02
DAV:   4    -0.154530860796E+02    0.10159E-04   -0.32604E-05 75840   0.463E-02    0.361E-03
DAV:   5    -0.154530863025E+02   -0.22284E-06   -0.65592E-07100768   0.504E-03    0.118E-03
DAV:   6    -0.154530860779E+02    0.22455E-06   -0.89607E-08 49888   0.255E-03    0.318E-04
DAV:   7    -0.154530860574E+02    0.20552E-07   -0.14414E-08 38976   0.961E-04
  15 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564212E-02
 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        2/  4
  Total:              14/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154644414670E+02   -0.11355E-01   -0.31896E-01106080   0.338E+00    0.759E-01
DAV:   2    -0.154549864367E+02    0.94550E-02   -0.14096E-02 83200   0.678E-01    0.320E-01
DAV:   3    -0.154531278104E+02    0.18586E-02   -0.57410E-03110080   0.380E-01    0.305E-02
DAV:   4    -0.154530876860E+02    0.40124E-04   -0.11410E-04 75200   0.836E-02    0.128E-02
DAV:   5    -0.154530870448E+02    0.64119E-06   -0.53928E-06103168   0.164E-02    0.231E-03
DAV:   6    -0.154530861478E+02    0.89706E-06   -0.56262E-07 77312   0.678E-03    0.766E-04
DAV:   7    -0.154530860575E+02    0.90293E-07   -0.56214E-08 40512   0.186E-03
  16 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564213E-02
 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        3/  4
  Total:              15/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154552202140E+02   -0.21341E-02   -0.62473E-01107680   0.511E+00    0.377E-01
DAV:   2    -0.154531967327E+02    0.20235E-02   -0.65656E-03 76608   0.453E-01    0.162E-01
DAV:   3    -0.154527274830E+02    0.46925E-03   -0.15063E-03109632   0.193E-01    0.149E-02
DAV:   4    -0.154527176261E+02    0.98569E-05   -0.37316E-05 76128   0.489E-02    0.739E-03
DAV:   5    -0.154527174106E+02    0.21552E-06   -0.15473E-06 95808   0.706E-03    0.119E-03
DAV:   6    -0.154527171919E+02    0.21868E-06   -0.10313E-07 58656   0.272E-03    0.278E-04
DAV:   7    -0.154527171781E+02    0.13763E-07   -0.11409E-08 38848   0.863E-04
  17 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563256E-02
 Finite differences progress:
  Degree of freedom:   4/  7
  Displacement:        4/  4
  Total:              16/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154772356862E+02   -0.24518E-01   -0.11136E+00105120   0.652E+00    0.897E-01
DAV:   2    -0.154609657331E+02    0.16270E-01   -0.21439E-02 79456   0.831E-01    0.452E-01
DAV:   3    -0.154537110359E+02    0.72547E-02   -0.12941E-02107744   0.565E-01    0.954E-02
DAV:   4    -0.154527590375E+02    0.95200E-03   -0.14150E-03 97408   0.221E-01    0.106E-02
DAV:   5    -0.154527203949E+02    0.38643E-04   -0.31863E-05 86304   0.341E-02    0.417E-03
DAV:   6    -0.154527176285E+02    0.27664E-05   -0.96011E-07108096   0.775E-03    0.706E-04
DAV:   7    -0.154527175185E+02    0.11006E-06   -0.32391E-08 52032   0.126E-03    0.245E-04
DAV:   8    -0.154527171865E+02    0.33190E-06   -0.34534E-09 38944   0.355E-04    0.302E-05
DAV:   9    -0.154527171807E+02    0.58360E-08   -0.26861E-10 37888   0.126E-04
  18 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563255E-02
 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        1/  4
  Total:              17/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154556548713E+02   -0.29377E-02   -0.55031E-01111648   0.495E+00    0.381E-01
DAV:   2    -0.154535488882E+02    0.21060E-02   -0.63831E-03 76256   0.445E-01    0.159E-01
DAV:   3    -0.154530962862E+02    0.45260E-03   -0.14014E-03112704   0.187E-01    0.156E-02
DAV:   4    -0.154530861286E+02    0.10158E-04   -0.32594E-05 76544   0.465E-02    0.341E-03
DAV:   5    -0.154530863129E+02   -0.18433E-06   -0.64744E-07 97856   0.507E-03    0.119E-03
DAV:   6    -0.154530860719E+02    0.24107E-06   -0.10798E-07 52352   0.275E-03    0.257E-04
DAV:   7    -0.154530860591E+02    0.12818E-07   -0.10791E-08 38176   0.792E-04
  19 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564212E-02
 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        2/  4
  Total:              18/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154644310822E+02   -0.11345E-01   -0.32394E-01110368   0.344E+00    0.759E-01
DAV:   2    -0.154549866760E+02    0.94444E-02   -0.14215E-02 82400   0.673E-01    0.320E-01
DAV:   3    -0.154531280545E+02    0.18586E-02   -0.57246E-03109888   0.380E-01    0.306E-02
DAV:   4    -0.154530878132E+02    0.40241E-04   -0.10929E-04 75264   0.817E-02    0.129E-02
DAV:   5    -0.154530870435E+02    0.76978E-06   -0.55759E-06104096   0.168E-02    0.229E-03
DAV:   6    -0.154530861445E+02    0.89891E-06   -0.57074E-07 77760   0.681E-03    0.751E-04
DAV:   7    -0.154530860572E+02    0.87310E-07   -0.56332E-08 39488   0.186E-03
  20 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564213E-02
 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        3/  4
  Total:              19/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154552201222E+02   -0.21340E-02   -0.62061E-01110624   0.508E+00    0.378E-01
DAV:   2    -0.154531964053E+02    0.20237E-02   -0.65889E-03 76160   0.445E-01    0.161E-01
DAV:   3    -0.154527274646E+02    0.46894E-03   -0.14977E-03109248   0.193E-01    0.149E-02
DAV:   4    -0.154527175928E+02    0.98718E-05   -0.36708E-05 75936   0.483E-02    0.722E-03
DAV:   5    -0.154527174082E+02    0.18451E-06   -0.15072E-06 96288   0.705E-03    0.119E-03
DAV:   6    -0.154527171915E+02    0.21674E-06   -0.10288E-07 57984   0.272E-03    0.280E-04
DAV:   7    -0.154527171767E+02    0.14834E-07   -0.11065E-08 38560   0.841E-04
  21 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563256E-02
 Finite differences progress:
  Degree of freedom:   5/  7
  Displacement:        4/  4
  Total:              20/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154889268773E+02   -0.36210E-01   -0.11358E+00109664   0.650E+00    0.915E-01
DAV:   2    -0.154679292983E+02    0.20998E-01   -0.22681E-02 77536   0.833E-01    0.452E-01
DAV:   3    -0.154560431609E+02    0.11886E-01   -0.12857E-02105728   0.573E-01    0.101E-01
DAV:   4    -0.154529282119E+02    0.31149E-02   -0.15597E-03100416   0.227E-01    0.120E-02
DAV:   5    -0.154527322239E+02    0.19599E-03   -0.30680E-05 83776   0.334E-02    0.576E-03
DAV:   6    -0.154527199730E+02    0.12251E-04   -0.10099E-06108128   0.782E-03    0.740E-04
DAV:   7    -0.154527187448E+02    0.12282E-05   -0.30876E-08 52128   0.125E-03    0.267E-04
DAV:   8    -0.154527172503E+02    0.14944E-05   -0.39549E-09 38848   0.379E-04    0.479E-05
DAV:   9    -0.154527171662E+02    0.84164E-07   -0.38722E-10 37984   0.170E-04
  22 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563255E-02
 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        1/  4
  Total:              21/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154556594408E+02   -0.29422E-02   -0.53995E-01119296   0.497E+00    0.381E-01
DAV:   2    -0.154535490961E+02    0.21103E-02   -0.63306E-03 76448   0.451E-01    0.159E-01
DAV:   3    -0.154530963477E+02    0.45275E-03   -0.14024E-03114752   0.187E-01    0.156E-02
DAV:   4    -0.154530861119E+02    0.10236E-04   -0.31785E-05 76000   0.461E-02    0.352E-03
DAV:   5    -0.154530863178E+02   -0.20592E-06   -0.65406E-07 96736   0.507E-03    0.119E-03
DAV:   6    -0.154530860756E+02    0.24227E-06   -0.10585E-07 50080   0.277E-03    0.293E-04
DAV:   7    -0.154530860577E+02    0.17816E-07   -0.13037E-08 38912   0.887E-04
  23 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564212E-02
 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        2/  4
  Total:              22/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154644232402E+02   -0.11337E-01   -0.32194E-01110048   0.345E+00    0.759E-01
DAV:   2    -0.154549891770E+02    0.94341E-02   -0.14255E-02 81952   0.674E-01    0.320E-01
DAV:   3    -0.154531286108E+02    0.18606E-02   -0.57194E-03111456   0.381E-01    0.306E-02
DAV:   4    -0.154530876783E+02    0.40933E-04   -0.10497E-04 75392   0.808E-02    0.127E-02
DAV:   5    -0.154530870609E+02    0.61736E-06   -0.54298E-06105120   0.164E-02    0.227E-03
DAV:   6    -0.154530861427E+02    0.91823E-06   -0.57423E-07 77472   0.684E-03    0.731E-04
DAV:   7    -0.154530860568E+02    0.85890E-07   -0.53775E-08 40512   0.181E-03
  24 F= -.15453086E+02 E0= -.15450265E+02  d E =-.564213E-02
 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        3/  4
  Total:              23/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154552217399E+02   -0.21356E-02   -0.61771E-01111456   0.508E+00    0.377E-01
DAV:   2    -0.154531966929E+02    0.20250E-02   -0.65607E-03 76640   0.445E-01    0.161E-01
DAV:   3    -0.154527275388E+02    0.46915E-03   -0.14960E-03111008   0.192E-01    0.149E-02
DAV:   4    -0.154527175919E+02    0.99469E-05   -0.36200E-05 75456   0.481E-02    0.723E-03
DAV:   5    -0.154527174089E+02    0.18302E-06   -0.15109E-06 97376   0.706E-03    0.119E-03
DAV:   6    -0.154527171903E+02    0.21863E-06   -0.10356E-07 57632   0.273E-03    0.274E-04
DAV:   7    -0.154527171770E+02    0.13228E-07   -0.11019E-08 38944   0.842E-04
  25 F= -.15452717E+02 E0= -.15449901E+02  d E =-.563256E-02
 Finite differences progress:
  Degree of freedom:   6/  7
  Displacement:        4/  4
  Total:              24/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154756929728E+02   -0.22976E-01   -0.11451E+00 30976   0.985E+00    0.522E-01
DAV:   2    -0.154654964082E+02    0.10197E-01   -0.17920E-02 28480   0.817E-01    0.322E-01
DAV:   3    -0.154531740532E+02    0.12322E-01   -0.13171E-02 38464   0.579E-01    0.171E-02
DAV:   4    -0.154530706293E+02    0.10342E-03   -0.16447E-04 27392   0.796E-02    0.895E-03
DAV:   5    -0.154530175129E+02    0.53116E-04   -0.22938E-06 42336   0.990E-03    0.160E-03
DAV:   6    -0.154530116900E+02    0.58229E-05   -0.12102E-07 24768   0.266E-03    0.379E-04
DAV:   7    -0.154530105644E+02    0.11256E-05   -0.10185E-08 15584   0.710E-04    0.584E-05
DAV:   8    -0.154530104377E+02    0.12670E-06   -0.11541E-09 14272   0.238E-04    0.263E-05
DAV:   9    -0.154530104351E+02    0.25582E-08   -0.11637E-10 14144   0.748E-05
  26 F= -.15453010E+02 E0= -.15450191E+02  d E =-.563868E-02
 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        1/  4
  Total:              25/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154529631528E+02    0.47285E-04   -0.52707E-01 25920   0.749E+00    0.434E-02
DAV:   2    -0.154531666722E+02   -0.20352E-03   -0.21465E-03 29920   0.273E-01    0.261E-02
DAV:   3    -0.154531601727E+02    0.64996E-05   -0.10745E-05 41056   0.193E-02    0.116E-03
DAV:   4    -0.154531601336E+02    0.39051E-07   -0.16453E-07 30144   0.339E-03    0.658E-04
DAV:   5    -0.154531601225E+02    0.11102E-07   -0.32382E-08 23232   0.191E-03
  27 F= -.15453160E+02 E0= -.15450340E+02  d E =-.564077E-02
 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        2/  4
  Total:              26/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154530565929E+02    0.10354E-03   -0.42900E-01 26240   0.701E+00    0.869E-02
DAV:   2    -0.154531877974E+02   -0.13120E-03   -0.17666E-03 29248   0.259E-01    0.522E-02
DAV:   3    -0.154531603514E+02    0.27446E-04   -0.32056E-05 41024   0.328E-02    0.244E-03
DAV:   4    -0.154531602003E+02    0.15117E-06   -0.67764E-07 29216   0.716E-03    0.144E-03
DAV:   5    -0.154531601264E+02    0.73869E-07   -0.20326E-07 30080   0.482E-03
  28 F= -.15453160E+02 E0= -.15450340E+02  d E =-.564077E-02
 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        3/  4
  Total:              27/ 28
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.154528032214E+02    0.35698E-03   -0.53630E-01 25984   0.743E+00    0.441E-02
DAV:   2    -0.154530170373E+02   -0.21382E-03   -0.22567E-03 28000   0.271E-01    0.259E-02
DAV:   3    -0.154530105371E+02    0.65002E-05   -0.11558E-05 42176   0.209E-02    0.169E-03
DAV:   4    -0.154530104553E+02    0.81768E-07   -0.22201E-07 28480   0.385E-03    0.749E-04
DAV:   5    -0.154530104302E+02    0.25055E-07   -0.71034E-08 24992   0.265E-03
  29 F= -.15453010E+02 E0= -.15450191E+02  d E =-.563868E-02
 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        4/  4
  Total:              28/ 28
 PROFILE, used timers:     367
