 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 Fe
 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     0.872941907233E+01    0.87294E+01   -0.11005E+04 28160   0.873E+02
DAV:   2    -0.159183501263E+02   -0.24648E+02   -0.24290E+02 39392   0.621E+01
DAV:   3    -0.159411698102E+02   -0.22820E-01   -0.22813E-01 30304   0.242E+00
DAV:   4    -0.159411861138E+02   -0.16304E-04   -0.16305E-04 49568   0.415E-02
DAV:   5    -0.159411861147E+02   -0.89369E-09   -0.17794E-09 31008   0.643E-05    0.205E+01
DAV:   6    -0.165701375671E+02   -0.62895E+00   -0.18995E+01 37536   0.276E+01    0.551E+00
DAV:   7    -0.165174165612E+02    0.52721E-01   -0.46443E-01 33152   0.406E+00    0.394E+00
DAV:   8    -0.164976234140E+02    0.19793E-01   -0.13059E-02 40896   0.548E-01    0.155E+00
DAV:   9    -0.164861247341E+02    0.11499E-01   -0.18525E-02 39264   0.535E-01    0.310E-01
DAV:  10    -0.164857515031E+02    0.37323E-03   -0.25291E-03 35840   0.327E-01    0.714E-02
DAV:  11    -0.164857728211E+02   -0.21318E-04   -0.55903E-05 42208   0.284E-02    0.504E-02
DAV:  12    -0.164857683603E+02    0.44608E-05   -0.11357E-05 41952   0.105E-02    0.179E-02
DAV:  13    -0.164857685916E+02   -0.23126E-06   -0.27502E-06 34464   0.756E-03    0.852E-03
DAV:  14    -0.164857677543E+02    0.83728E-06   -0.43596E-07 40768   0.269E-03    0.950E-04
DAV:  15    -0.164857676142E+02    0.14013E-06   -0.19654E-08 16864   0.940E-04    0.689E-04
DAV:  16    -0.164857676101E+02    0.40392E-08   -0.22234E-09 15776   0.254E-04
   1 F= -.16485768E+02 E0= -.16484470E+02  d E =-.259506E-02  mag=     4.3622
 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    -0.165050797660E+02   -0.19312E-01   -0.60091E-01107104   0.463E+00    0.137E+00
DAV:   2    -0.164874850337E+02    0.17595E-01   -0.20817E-01 99936   0.261E+00    0.123E+00
DAV:   3    -0.164852063053E+02    0.22787E-02   -0.15028E-02 93504   0.738E-01    0.399E-01
DAV:   4    -0.164847997636E+02    0.40654E-03   -0.46048E-04108800   0.136E-01    0.119E-01
DAV:   5    -0.164845634799E+02    0.23628E-03   -0.32655E-04105504   0.646E-02    0.226E-02
DAV:   6    -0.164845630956E+02    0.38425E-06   -0.11515E-05 86400   0.162E-02    0.873E-03
DAV:   7    -0.164845644686E+02   -0.13730E-05   -0.22837E-06 92128   0.855E-03    0.390E-03
DAV:   8    -0.164845649407E+02   -0.47206E-06   -0.25525E-07100064   0.297E-03    0.156E-03
DAV:   9    -0.164845651037E+02   -0.16301E-06   -0.18557E-08 37888   0.713E-04    0.692E-04
DAV:  10    -0.164845651346E+02   -0.30962E-07   -0.42748E-09 36096   0.379E-04
   2 F= -.16484565E+02 E0= -.16483284E+02  d E =-.256293E-02  mag=     4.3987
 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    -0.164905731102E+02   -0.60080E-02   -0.32011E-01105568   0.287E+00    0.663E-01
DAV:   2    -0.164862825348E+02    0.42906E-02   -0.47861E-02 92608   0.126E+00    0.572E-01
DAV:   3    -0.164857981029E+02    0.48443E-03   -0.30625E-03 92192   0.335E-01    0.201E-01
DAV:   4    -0.164856999597E+02    0.98143E-04   -0.88940E-05105440   0.576E-02    0.564E-02
DAV:   5    -0.164856444562E+02    0.55504E-04   -0.84033E-05105920   0.314E-02    0.930E-03
DAV:   6    -0.164856437844E+02    0.67179E-06   -0.27088E-06 89408   0.856E-03    0.413E-03
DAV:   7    -0.164856436821E+02    0.10234E-06   -0.56145E-07 89792   0.411E-03    0.165E-03
DAV:   8    -0.164856435385E+02    0.14352E-06   -0.20855E-08 42816   0.861E-04    0.761E-04
DAV:   9    -0.164856434277E+02    0.11088E-06   -0.54249E-09 36640   0.415E-04    0.274E-04
DAV:  10    -0.164856434190E+02    0.86911E-08   -0.12965E-09 35904   0.188E-04
   3 F= -.16485643E+02 E0= -.16484345E+02  d E =-.259718E-02  mag=     4.3804
 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    -0.165044890348E+02   -0.18846E-01   -0.49662E-01106112   0.441E+00    0.132E+00
DAV:   2    -0.164872702774E+02    0.17219E-01   -0.18327E-01102240   0.247E+00    0.111E+00
DAV:   3    -0.164855094514E+02    0.17608E-02   -0.10823E-02 95232   0.630E-01    0.405E-01
DAV:   4    -0.164851104039E+02    0.39905E-03   -0.33403E-04108384   0.111E-01    0.111E-01
DAV:   5    -0.164848887844E+02    0.22162E-03   -0.32858E-04106112   0.624E-02    0.184E-02
DAV:   6    -0.164848868799E+02    0.19045E-05   -0.10752E-05 89088   0.176E-02    0.818E-03
DAV:   7    -0.164848871425E+02   -0.26267E-06   -0.20998E-06 89184   0.792E-03    0.315E-03
DAV:   8    -0.164848868488E+02    0.29375E-06   -0.72966E-08 79360   0.151E-03    0.149E-03
DAV:   9    -0.164848866209E+02    0.22788E-06   -0.23392E-08 37344   0.850E-04    0.557E-04
DAV:  10    -0.164848866046E+02    0.16319E-07   -0.38962E-09 36096   0.325E-04
   4 F= -.16484887E+02 E0= -.16483589E+02  d E =-.259495E-02  mag=     4.3442
 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    -0.164878902721E+02   -0.30037E-02   -0.34197E-01109248   0.288E+00    0.661E-01
DAV:   2    -0.164835659944E+02    0.43243E-02   -0.45872E-02 93920   0.124E+00    0.554E-01
DAV:   3    -0.164831224483E+02    0.44355E-03   -0.26644E-03 95104   0.315E-01    0.204E-01
DAV:   4    -0.164830219674E+02    0.10048E-03   -0.84471E-05105504   0.559E-02    0.560E-02
DAV:   5    -0.164829665880E+02    0.55379E-04   -0.83271E-05107968   0.313E-02    0.919E-03
DAV:   6    -0.164829658939E+02    0.69409E-06   -0.26665E-06 88480   0.873E-03    0.413E-03
DAV:   7    -0.164829658037E+02    0.90163E-07   -0.55286E-07 90688   0.408E-03
   5 F= -.16482966E+02 E0= -.16481670E+02  d E =-.259205E-02  mag=     4.3257
 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    -0.165668475632E+02   -0.83882E-01   -0.19225E+00102400   0.894E+00    0.262E+00
DAV:   2    -0.164986979292E+02    0.68150E-01   -0.81165E-01102208   0.515E+00    0.241E+00
DAV:   3    -0.164902984587E+02    0.83995E-02   -0.55099E-02 92224   0.142E+00    0.707E-01
DAV:   4    -0.164881182387E+02    0.21802E-02   -0.13308E-03100640   0.245E-01    0.211E-01
DAV:   5    -0.164847548463E+02    0.33634E-02   -0.13491E-03 98688   0.162E-01    0.268E-02
DAV:   6    -0.164846673289E+02    0.87517E-04   -0.25549E-05 85792   0.284E-02    0.168E-02
DAV:   7    -0.164845881678E+02    0.79161E-04   -0.41283E-06100512   0.931E-03    0.810E-03
DAV:   8    -0.164845719684E+02    0.16199E-04   -0.12856E-06104992   0.560E-03    0.255E-03
DAV:   9    -0.164845672783E+02    0.46901E-05   -0.50489E-08 51456   0.106E-03    0.140E-03
DAV:  10    -0.164845683783E+02   -0.11000E-05   -0.11069E-08 36800   0.506E-04    0.393E-04
DAV:  11    -0.164845683691E+02    0.92147E-08   -0.22967E-09 36608   0.220E-04
   6 F= -.16484568E+02 E0= -.16483287E+02  d E =-.256291E-02  mag=     4.3987
 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    -0.164905843344E+02   -0.60160E-02   -0.31680E-01114816   0.287E+00    0.663E-01
DAV:   2    -0.164862840869E+02    0.43002E-02   -0.47704E-02 89120   0.125E+00    0.572E-01
DAV:   3    -0.164858009546E+02    0.48313E-03   -0.30607E-03 91616   0.335E-01    0.201E-01
DAV:   4    -0.164857028642E+02    0.98090E-04   -0.88718E-05108160   0.575E-02    0.564E-02
DAV:   5    -0.164856473988E+02    0.55465E-04   -0.83978E-05105504   0.314E-02    0.928E-03
DAV:   6    -0.164856467050E+02    0.69378E-06   -0.27133E-06 89696   0.856E-03    0.412E-03
DAV:   7    -0.164856465900E+02    0.11506E-06   -0.55976E-07 90880   0.410E-03    0.165E-03
DAV:   8    -0.164856464452E+02    0.14478E-06   -0.20619E-08 43008   0.858E-04    0.761E-04
DAV:   9    -0.164856463344E+02    0.11083E-06   -0.54526E-09 36608   0.416E-04    0.275E-04
DAV:  10    -0.164856463255E+02    0.88963E-08   -0.13023E-09 35744   0.189E-04
   7 F= -.16485646E+02 E0= -.16484348E+02  d E =-.259718E-02  mag=     4.3804
 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    -0.165045022317E+02   -0.18856E-01   -0.51385E-01109664   0.446E+00    0.132E+00
DAV:   2    -0.164872706267E+02    0.17232E-01   -0.18309E-01101088   0.247E+00    0.111E+00
DAV:   3    -0.164855120209E+02    0.17586E-02   -0.10822E-02 94592   0.631E-01    0.405E-01
DAV:   4    -0.164851133898E+02    0.39863E-03   -0.33418E-04109824   0.111E-01    0.111E-01
DAV:   5    -0.164848919949E+02    0.22139E-03   -0.32805E-04106304   0.623E-02    0.184E-02
DAV:   6    -0.164848900463E+02    0.19486E-05   -0.10754E-05 89344   0.176E-02    0.817E-03
DAV:   7    -0.164848902850E+02   -0.23873E-06   -0.20953E-06 89280   0.791E-03    0.315E-03
DAV:   8    -0.164848899887E+02    0.29631E-06   -0.72628E-08 78976   0.151E-03    0.149E-03
DAV:   9    -0.164848897589E+02    0.22973E-06   -0.23523E-08 37184   0.853E-04    0.558E-04
DAV:  10    -0.164848897428E+02    0.16096E-07   -0.39258E-09 35968   0.327E-04
   8 F= -.16484890E+02 E0= -.16483592E+02  d E =-.259495E-02  mag=     4.3442
 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    -0.164878961569E+02   -0.30064E-02   -0.32305E-01113952   0.282E+00    0.661E-01
DAV:   2    -0.164835689771E+02    0.43272E-02   -0.45842E-02 92256   0.124E+00    0.554E-01
DAV:   3    -0.164831256867E+02    0.44329E-03   -0.26643E-03 93824   0.314E-01    0.204E-01
DAV:   4    -0.164830252453E+02    0.10044E-03   -0.84618E-05106816   0.560E-02    0.560E-02
DAV:   5    -0.164829698705E+02    0.55375E-04   -0.83162E-05106912   0.313E-02    0.920E-03
DAV:   6    -0.164829691560E+02    0.71447E-06   -0.26675E-06 89120   0.873E-03    0.413E-03
DAV:   7    -0.164829690534E+02    0.10256E-06   -0.55210E-07 90336   0.408E-03    0.155E-03
DAV:   8    -0.164829689002E+02    0.15328E-06   -0.18845E-08 43680   0.786E-04    0.727E-04
DAV:   9    -0.164829687965E+02    0.10371E-06   -0.53996E-09 37120   0.411E-04    0.265E-04
DAV:  10    -0.164829687857E+02    0.10738E-07   -0.10992E-09 36192   0.172E-04
   9 F= -.16482969E+02 E0= -.16481673E+02  d E =-.259200E-02  mag=     4.3258
 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    -0.165463934158E+02   -0.63425E-01   -0.19321E+00105600   0.900E+00    0.261E+00
DAV:   2    -0.164899809343E+02    0.56412E-01   -0.81190E-01 98688   0.514E+00    0.243E+00
DAV:   3    -0.164825623383E+02    0.74186E-02   -0.55590E-02 91392   0.142E+00    0.708E-01
DAV:   4    -0.164826248515E+02   -0.62513E-04   -0.13313E-03 99872   0.245E-01    0.213E-01
DAV:   5    -0.164842732904E+02   -0.16484E-02   -0.12037E-03 96096   0.155E-01    0.402E-02
DAV:   6    -0.164844002245E+02   -0.12693E-03   -0.27458E-05 83296   0.267E-02    0.159E-02
DAV:   7    -0.164845170302E+02   -0.11681E-03   -0.38572E-06104320   0.120E-02    0.108E-02
DAV:   8    -0.164845469151E+02   -0.29885E-04   -0.11400E-06 99488   0.586E-03    0.270E-03
DAV:   9    -0.164845519052E+02   -0.49901E-05   -0.45888E-08 65952   0.118E-03    0.130E-03
DAV:  10    -0.164845529504E+02   -0.10452E-05   -0.60748E-09 36480   0.430E-04    0.281E-04
DAV:  11    -0.164845528289E+02    0.12153E-06   -0.20739E-09 36160   0.221E-04    0.113E-04
DAV:  12    -0.164845532499E+02   -0.42104E-06   -0.28005E-10 35840   0.771E-05    0.462E-05
DAV:  13    -0.164845533199E+02   -0.69942E-07   -0.48568E-11 35744   0.408E-05
  10 F= -.16484553E+02 E0= -.16483272E+02  d E =-.256284E-02  mag=     4.3987
 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    -0.164905702671E+02   -0.60170E-02   -0.33206E-01109888   0.288E+00    0.663E-01
DAV:   2    -0.164862704773E+02    0.42998E-02   -0.47708E-02 94048   0.126E+00    0.572E-01
DAV:   3    -0.164857875114E+02    0.48297E-03   -0.30569E-03 93472   0.334E-01    0.201E-01
DAV:   4    -0.164856895749E+02    0.97936E-04   -0.88605E-05105792   0.575E-02    0.564E-02
DAV:   5    -0.164856341864E+02    0.55388E-04   -0.83997E-05105728   0.314E-02    0.929E-03
DAV:   6    -0.164856335448E+02    0.64164E-06   -0.27115E-06 88448   0.856E-03    0.413E-03
DAV:   7    -0.164856334405E+02    0.10427E-06   -0.56011E-07 90976   0.411E-03    0.165E-03
DAV:   8    -0.164856333001E+02    0.14046E-06   -0.20636E-08 43328   0.861E-04    0.760E-04
DAV:   9    -0.164856331892E+02    0.11084E-06   -0.54100E-09 36512   0.414E-04    0.274E-04
DAV:  10    -0.164856331803E+02    0.89385E-08   -0.13135E-09 35680   0.190E-04
  11 F= -.16485633E+02 E0= -.16484335E+02  d E =-.259711E-02  mag=     4.3804
 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    -0.165044942597E+02   -0.18861E-01   -0.50979E-01107424   0.443E+00    0.132E+00
DAV:   2    -0.164872602656E+02    0.17234E-01   -0.18302E-01103808   0.247E+00    0.111E+00
DAV:   3    -0.164855017252E+02    0.17585E-02   -0.10812E-02 95680   0.630E-01    0.405E-01
DAV:   4    -0.164851031122E+02    0.39861E-03   -0.33353E-04110144   0.111E-01    0.111E-01
DAV:   5    -0.164848817312E+02    0.22138E-03   -0.32850E-04106240   0.624E-02    0.184E-02
DAV:   6    -0.164848798935E+02    0.18377E-05   -0.10737E-05 89216   0.176E-02    0.817E-03
DAV:   7    -0.164848801521E+02   -0.25857E-06   -0.20974E-06 89216   0.792E-03    0.315E-03
DAV:   8    -0.164848798639E+02    0.28816E-06   -0.72436E-08 78592   0.151E-03    0.149E-03
DAV:   9    -0.164848796338E+02    0.23009E-06   -0.23510E-08 36736   0.853E-04    0.559E-04
DAV:  10    -0.164848796192E+02    0.14643E-07   -0.39253E-09 35552   0.327E-04
  12 F= -.16484880E+02 E0= -.16483582E+02  d E =-.259486E-02  mag=     4.3441
 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    -0.164878816658E+02   -0.30020E-02   -0.33505E-01107808   0.288E+00    0.661E-01
DAV:   2    -0.164835608754E+02    0.43208E-02   -0.45924E-02 92768   0.124E+00    0.554E-01
DAV:   3    -0.164831170171E+02    0.44386E-03   -0.26673E-03 93408   0.315E-01    0.204E-01
DAV:   4    -0.164830166417E+02    0.10038E-03   -0.84700E-05107776   0.560E-02    0.560E-02
DAV:   5    -0.164829612979E+02    0.55344E-04   -0.83195E-05106816   0.313E-02    0.921E-03
DAV:   6    -0.164829606362E+02    0.66169E-06   -0.26728E-06 88544   0.873E-03    0.414E-03
DAV:   7    -0.164829605460E+02    0.90214E-07   -0.55189E-07 89728   0.408E-03
  13 F= -.16482961E+02 E0= -.16481665E+02  d E =-.259180E-02  mag=     4.3257
 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    -0.165092089400E+02   -0.26248E-01   -0.81172E-01351168   0.501E+00    0.144E+00
DAV:   2    -0.164885836216E+02    0.20625E-01   -0.20991E-01302592   0.261E+00    0.123E+00
DAV:   3    -0.164860143223E+02    0.25693E-02   -0.15070E-02288512   0.741E-01    0.455E-01
DAV:   4    -0.164853647908E+02    0.64953E-03   -0.64008E-04333984   0.147E-01    0.131E-01
DAV:   5    -0.164850597258E+02    0.30507E-03   -0.44185E-04323808   0.717E-02    0.264E-02
DAV:   6    -0.164850548290E+02    0.48967E-05   -0.18112E-05270016   0.223E-02    0.981E-03
DAV:   7    -0.164850561062E+02   -0.12772E-05   -0.26923E-06282080   0.965E-03    0.403E-03
DAV:   8    -0.164850566172E+02   -0.51098E-06   -0.26414E-07301152   0.305E-03    0.173E-03
DAV:   9    -0.164850568048E+02   -0.18757E-06   -0.24499E-08115904   0.887E-04    0.707E-04
DAV:  10    -0.164850568183E+02   -0.13493E-07   -0.51234E-09108288   0.418E-04
  14 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256789E-02  mag=     4.3659
 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    -0.164864458692E+02   -0.13891E-02   -0.20722E-01368064   0.181E+00    0.209E-01
DAV:   2    -0.164857602522E+02    0.68562E-03   -0.10403E-03224896   0.135E-01    0.955E-02
DAV:   3    -0.164855793492E+02    0.18090E-03   -0.34823E-04339744   0.785E-02    0.400E-02
DAV:   4    -0.164855832665E+02   -0.39172E-05   -0.23989E-05282080   0.186E-02    0.105E-02
DAV:   5    -0.164855801255E+02    0.31409E-05   -0.26135E-06303872   0.104E-02    0.555E-03
DAV:   6    -0.164855796217E+02    0.50383E-06   -0.96641E-07283040   0.582E-03    0.154E-03
DAV:   7    -0.164855796480E+02   -0.26280E-07   -0.46552E-08132960   0.113E-03
  15 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258977E-02  mag=     4.3633
 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    -0.164890774646E+02   -0.34978E-02   -0.10163E-01365056   0.113E+00    0.417E-01
DAV:   2    -0.164862992967E+02    0.27782E-02   -0.37593E-03257760   0.238E-01    0.191E-01
DAV:   3    -0.164855782174E+02    0.72108E-03   -0.14059E-03322080   0.157E-01    0.791E-02
DAV:   4    -0.164855942176E+02   -0.16000E-04   -0.96118E-05294208   0.375E-02    0.209E-02
DAV:   5    -0.164855816292E+02    0.12588E-04   -0.10462E-05295616   0.208E-02    0.111E-02
DAV:   6    -0.164855795457E+02    0.20835E-05   -0.38997E-06310432   0.117E-02    0.308E-03
DAV:   7    -0.164855796274E+02   -0.81767E-07   -0.20395E-07273056   0.236E-03
  16 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258969E-02  mag=     4.3633
 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    -0.164859239316E+02   -0.34439E-03   -0.21873E-01366048   0.178E+00    0.209E-01
DAV:   2    -0.164852375543E+02    0.68638E-03   -0.10204E-03223488   0.131E-01    0.955E-02
DAV:   3    -0.164850565488E+02    0.18101E-03   -0.34816E-04332288   0.787E-02    0.402E-02
DAV:   4    -0.164850604307E+02   -0.38819E-05   -0.24074E-05285952   0.188E-02    0.105E-02
DAV:   5    -0.164850573500E+02    0.30807E-05   -0.25049E-06297984   0.101E-02    0.548E-03
DAV:   6    -0.164850568008E+02    0.54926E-06   -0.99054E-07286880   0.592E-03    0.157E-03
DAV:   7    -0.164850568168E+02   -0.16057E-07   -0.37749E-08122400   0.102E-03
  17 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256785E-02  mag=     4.3660
 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    -0.164921557392E+02   -0.70989E-02   -0.37989E-01364576   0.226E+00    0.522E-01
DAV:   2    -0.164868305940E+02    0.53251E-02   -0.73267E-03243040   0.323E-01    0.269E-01
DAV:   3    -0.164851374491E+02    0.16931E-02   -0.35319E-03323648   0.247E-01    0.149E-01
DAV:   4    -0.164850556330E+02    0.81816E-04   -0.10366E-03294016   0.985E-02    0.393E-02
DAV:   5    -0.164850396706E+02    0.15962E-04   -0.84150E-05312480   0.491E-02    0.184E-02
DAV:   6    -0.164850600918E+02   -0.20421E-04   -0.70467E-06303328   0.112E-02    0.568E-03
DAV:   7    -0.164850553544E+02    0.47374E-05   -0.85460E-07306752   0.487E-03    0.236E-03
DAV:   8    -0.164850568882E+02   -0.15338E-05   -0.18662E-07212768   0.193E-03    0.357E-04
DAV:   9    -0.164850571431E+02   -0.25492E-06   -0.60100E-09113056   0.341E-04    0.159E-04
DAV:  10    -0.164850569792E+02    0.16392E-06   -0.89281E-10108288   0.130E-04    0.851E-05
DAV:  11    -0.164850570692E+02   -0.90011E-07   -0.20551E-10108640   0.700E-05
  18 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256788E-02  mag=     4.3659
 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    -0.164864459088E+02   -0.13889E-02   -0.20385E-01349184   0.179E+00    0.209E-01
DAV:   2    -0.164857602341E+02    0.68567E-03   -0.10386E-03230592   0.134E-01    0.955E-02
DAV:   3    -0.164855792941E+02    0.18094E-03   -0.34851E-04334624   0.786E-02    0.401E-02
DAV:   4    -0.164855833172E+02   -0.40231E-05   -0.24078E-05282080   0.187E-02    0.105E-02
DAV:   5    -0.164855801787E+02    0.31385E-05   -0.26141E-06304096   0.104E-02    0.554E-03
DAV:   6    -0.164855796749E+02    0.50377E-06   -0.96703E-07286304   0.583E-03    0.154E-03
DAV:   7    -0.164855797013E+02   -0.26400E-07   -0.47013E-08133920   0.114E-03
  19 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258977E-02  mag=     4.3633
 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    -0.164890772219E+02   -0.34975E-02   -0.10224E-01355264   0.114E+00    0.417E-01
DAV:   2    -0.164862994703E+02    0.27778E-02   -0.37584E-03255264   0.237E-01    0.191E-01
DAV:   3    -0.164855782710E+02    0.72120E-03   -0.14061E-03320992   0.158E-01    0.791E-02
DAV:   4    -0.164855942634E+02   -0.15992E-04   -0.96130E-05294144   0.376E-02    0.209E-02
DAV:   5    -0.164855816859E+02    0.12578E-04   -0.10459E-05295360   0.207E-02    0.111E-02
DAV:   6    -0.164855795975E+02    0.20884E-05   -0.39021E-06309856   0.117E-02    0.308E-03
DAV:   7    -0.164855796802E+02   -0.82636E-07   -0.20357E-07273696   0.235E-03
  20 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258969E-02  mag=     4.3633
 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    -0.164859235209E+02   -0.34392E-03   -0.21567E-01361600   0.176E+00    0.208E-01
DAV:   2    -0.164852378328E+02    0.68569E-03   -0.10254E-03224960   0.130E-01    0.955E-02
DAV:   3    -0.164850567709E+02    0.18106E-03   -0.34820E-04331488   0.787E-02    0.401E-02
DAV:   4    -0.164850606440E+02   -0.38731E-05   -0.24082E-05288128   0.188E-02    0.105E-02
DAV:   5    -0.164850575621E+02    0.30819E-05   -0.25096E-06296032   0.102E-02    0.549E-03
DAV:   6    -0.164850570144E+02    0.54764E-06   -0.98815E-07290144   0.591E-03    0.157E-03
DAV:   7    -0.164850570298E+02   -0.15332E-07   -0.38286E-08123392   0.103E-03
  21 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256784E-02  mag=     4.3660
 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    -0.164947194901E+02   -0.96625E-02   -0.37600E-01358496   0.221E+00    0.526E-01
DAV:   2    -0.164874372826E+02    0.72822E-02   -0.73415E-03244256   0.326E-01    0.275E-01
DAV:   3    -0.164861089272E+02    0.13284E-02   -0.36888E-03322688   0.260E-01    0.167E-01
DAV:   4    -0.164851670877E+02    0.94184E-03   -0.93909E-04296736   0.991E-02    0.465E-02
DAV:   5    -0.164850458446E+02    0.12124E-03   -0.66693E-05318112   0.443E-02    0.210E-02
DAV:   6    -0.164850801890E+02   -0.34344E-04   -0.13053E-05320448   0.170E-02    0.649E-03
DAV:   7    -0.164850511682E+02    0.29021E-04   -0.10503E-06299392   0.513E-03    0.281E-03
DAV:   8    -0.164850568662E+02   -0.56980E-05   -0.20298E-07219776   0.201E-03    0.697E-04
DAV:   9    -0.164850571764E+02   -0.31024E-06   -0.66633E-09113728   0.377E-04    0.235E-04
DAV:  10    -0.164850567995E+02    0.37695E-06   -0.66973E-10107936   0.134E-04    0.132E-04
DAV:  11    -0.164850570314E+02   -0.23191E-06   -0.17245E-10108768   0.736E-05    0.634E-05
DAV:  12    -0.164850569962E+02    0.35225E-07   -0.46922E-11106720   0.337E-05
  22 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256787E-02  mag=     4.3659
 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    -0.164864468451E+02   -0.13898E-02   -0.20536E-01372480   0.180E+00    0.209E-01
DAV:   2    -0.164857602099E+02    0.68664E-03   -0.10296E-03219392   0.133E-01    0.955E-02
DAV:   3    -0.164855793078E+02    0.18090E-03   -0.34867E-04339808   0.785E-02    0.400E-02
DAV:   4    -0.164855832953E+02   -0.39875E-05   -0.24016E-05283008   0.186E-02    0.105E-02
DAV:   5    -0.164855801566E+02    0.31387E-05   -0.26140E-06305248   0.104E-02    0.554E-03
DAV:   6    -0.164855796534E+02    0.50323E-06   -0.96727E-07285760   0.583E-03    0.154E-03
DAV:   7    -0.164855796785E+02   -0.25139E-07   -0.46902E-08133280   0.114E-03
  23 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258977E-02  mag=     4.3633
 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    -0.164890773628E+02   -0.34977E-02   -0.10266E-01365088   0.115E+00    0.417E-01
DAV:   2    -0.164862993781E+02    0.27780E-02   -0.37581E-03250944   0.238E-01    0.191E-01
DAV:   3    -0.164855782137E+02    0.72116E-03   -0.14064E-03322464   0.157E-01    0.792E-02
DAV:   4    -0.164855942401E+02   -0.16026E-04   -0.96073E-05295264   0.375E-02    0.209E-02
DAV:   5    -0.164855816622E+02    0.12578E-04   -0.10461E-05296640   0.207E-02    0.111E-02
DAV:   6    -0.164855795758E+02    0.20864E-05   -0.39023E-06311552   0.117E-02    0.308E-03
DAV:   7    -0.164855796571E+02   -0.81289E-07   -0.20379E-07273888   0.236E-03
  24 F= -.16485580E+02 E0= -.16484285E+02  d E =-.258969E-02  mag=     4.3633
 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    -0.164859239112E+02   -0.34434E-03   -0.21616E-01370208   0.176E+00    0.209E-01
DAV:   2    -0.164852376908E+02    0.68622E-03   -0.10212E-03223296   0.130E-01    0.955E-02
DAV:   3    -0.164850566711E+02    0.18102E-03   -0.34823E-04335136   0.787E-02    0.401E-02
DAV:   4    -0.164850605537E+02   -0.38826E-05   -0.24073E-05283808   0.188E-02    0.105E-02
DAV:   5    -0.164850574735E+02    0.30803E-05   -0.25090E-06299040   0.102E-02    0.549E-03
DAV:   6    -0.164850569252E+02    0.54829E-06   -0.98931E-07287808   0.592E-03    0.157E-03
DAV:   7    -0.164850569397E+02   -0.14546E-07   -0.38132E-08123392   0.103E-03
  25 F= -.16485057E+02 E0= -.16483773E+02  d E =-.256783E-02  mag=     4.3660
 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    -0.164912210574E+02   -0.61641E-02   -0.57255E-01125120   0.255E+00    0.489E-01
DAV:   2    -0.164872583827E+02    0.39627E-02   -0.52329E-03 75616   0.267E-01    0.266E-01
DAV:   3    -0.164869696279E+02    0.28875E-03   -0.12415E-03109792   0.145E-01    0.160E-01
DAV:   4    -0.164852654071E+02    0.17042E-02   -0.12853E-03106976   0.138E-01    0.320E-02
DAV:   5    -0.164853011464E+02   -0.35739E-04   -0.23794E-05 98944   0.176E-02    0.933E-03
DAV:   6    -0.164852909507E+02    0.10196E-04   -0.10476E-06105984   0.402E-03    0.434E-03
DAV:   7    -0.164852844164E+02    0.65343E-05   -0.31999E-07105760   0.200E-03    0.155E-03
DAV:   8    -0.164852854786E+02   -0.10623E-05   -0.89303E-08 81056   0.975E-04    0.385E-04
DAV:   9    -0.164852845059E+02    0.97270E-06   -0.90190E-09 40832   0.305E-04    0.971E-05
DAV:  10    -0.164852846073E+02   -0.10135E-06   -0.11757E-09 37504   0.137E-04    0.460E-05
DAV:  11    -0.164852845696E+02    0.37686E-07   -0.10486E-10 38080   0.542E-05
  26 F= -.16485285E+02 E0= -.16483985E+02  d E =-.259849E-02  mag=     4.3615
 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    -0.164851974643E+02    0.87143E-04   -0.32961E-01 81024   0.167E+00    0.186E-01
DAV:   2    -0.164855749754E+02   -0.37751E-03   -0.93689E-04 85024   0.127E-01    0.897E-02
DAV:   3    -0.164856460420E+02   -0.71067E-04   -0.51151E-05106400   0.245E-02    0.164E-02
DAV:   4    -0.164856379974E+02    0.80445E-05   -0.14787E-05100672   0.126E-02    0.856E-03
DAV:   5    -0.164856388906E+02   -0.89319E-06   -0.29510E-06102304   0.515E-03    0.145E-03
DAV:   6    -0.164856388604E+02    0.30219E-07   -0.92080E-08 89088   0.985E-04
  27 F= -.16485639E+02 E0= -.16484341E+02  d E =-.259591E-02  mag=     4.3620
 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    -0.164840289491E+02    0.16099E-02   -0.26745E-01 80608   0.156E+00    0.372E-01
DAV:   2    -0.164853823663E+02   -0.13534E-02   -0.20612E-03 90432   0.174E-01    0.180E-01
DAV:   3    -0.164856683732E+02   -0.28601E-03   -0.20564E-04 99616   0.488E-02    0.329E-02
DAV:   4    -0.164856349697E+02    0.33404E-04   -0.62601E-05107040   0.259E-02    0.174E-02
DAV:   5    -0.164856390090E+02   -0.40394E-05   -0.11737E-05100704   0.103E-02    0.271E-03
DAV:   6    -0.164856388674E+02    0.14169E-06   -0.35894E-07 99136   0.193E-03    0.116E-03
DAV:   7    -0.164856388566E+02    0.10772E-07   -0.95755E-08 90624   0.112E-03
  28 F= -.16485639E+02 E0= -.16484341E+02  d E =-.259590E-02  mag=     4.3620
 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    -0.164848434637E+02    0.79540E-03   -0.33333E-01 77408   0.167E+00    0.186E-01
DAV:   2    -0.164852200567E+02   -0.37659E-03   -0.87172E-04 85024   0.126E-01    0.904E-02
DAV:   3    -0.164852921665E+02   -0.72110E-04   -0.50962E-05107040   0.245E-02    0.165E-02
DAV:   4    -0.164852834802E+02    0.86863E-05   -0.16663E-05101568   0.133E-02    0.874E-03
DAV:   5    -0.164852846131E+02   -0.11330E-05   -0.29609E-06102336   0.513E-03    0.131E-03
DAV:   6    -0.164852845749E+02    0.38195E-07   -0.91286E-08 89792   0.958E-04
  29 F= -.16485285E+02 E0= -.16483985E+02  d E =-.259849E-02  mag=     4.3615
 Finite differences progress:
  Degree of freedom:   7/  7
  Displacement:        4/  4
  Total:              28/ 28
 PROFILE, used timers:     373
