iterations/neb0_image01_iter44_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421817506710E+04 0.42182E+04 -0.25382E+05 9000 0.103E+03
DAV: 2 -0.105151946835E+03 -0.43233E+04 -0.39266E+04 11000 0.248E+02
DAV: 3 -0.427233217828E+03 -0.32208E+03 -0.30085E+03 10208 0.655E+01
DAV: 4 -0.435767474301E+03 -0.85343E+01 -0.84373E+01 10856 0.107E+01
DAV: 5 -0.436042368404E+03 -0.27489E+00 -0.27423E+00 11272 0.188E+00 0.997E+01
RMM: 6 -0.388478362636E+03 0.47564E+02 -0.11039E+02 9700 0.144E+01 0.717E+01
RMM: 7 -0.770607719389E+03 -0.38213E+03 -0.40603E+02 11224 0.188E+01 0.145E+02
RMM: 8 -0.498595004043E+03 0.27201E+03 -0.11317E+02 10081 0.112E+01 0.911E+01
RMM: 9 -0.410843870322E+03 0.87751E+02 -0.67527E+01 10208 0.106E+01 0.544E+01
RMM: 10 -0.398345061783E+03 0.12499E+02 -0.41843E+01 10300 0.846E+00 0.451E+01
RMM: 11 -0.391740363662E+03 0.66047E+01 -0.24891E+01 10315 0.597E+00 0.468E+01
RMM: 12 -0.376382834228E+03 0.15358E+02 -0.79469E+00 9981 0.377E+00 0.298E+01
RMM: 13 -0.375816847404E+03 0.56599E+00 -0.31777E+00 10163 0.240E+00 0.246E+01
RMM: 14 -0.374400921135E+03 0.14159E+01 -0.12948E+00 10113 0.151E+00 0.167E+01
RMM: 15 -0.376780036355E+03 -0.23791E+01 -0.12061E+00 10443 0.140E+00 0.119E+01
RMM: 16 -0.381913820198E+03 -0.51338E+01 -0.10753E+00 10480 0.134E+00 0.134E+01
RMM: 17 -0.386933788193E+03 -0.50200E+01 -0.17839E+00 11214 0.162E+00 0.996E+00
RMM: 18 -0.390743607010E+03 -0.38098E+01 -0.97277E-01 10708 0.118E+00 0.687E+00
RMM: 19 -0.394164947582E+03 -0.34213E+01 -0.57886E-01 10606 0.910E-01 0.670E+00
RMM: 20 -0.397879047134E+03 -0.37141E+01 -0.10977E+00 11559 0.115E+00 0.759E+00
RMM: 21 -0.400844231624E+03 -0.29652E+01 -0.11544E+00 11951 0.112E+00 0.748E+00
RMM: 22 -0.403294878159E+03 -0.24506E+01 -0.77378E-01 11607 0.891E-01 0.664E+00
RMM: 23 -0.407492325040E+03 -0.41974E+01 -0.20901E+00 12966 0.128E+00 0.631E+00
RMM: 24 -0.409463191674E+03 -0.19709E+01 -0.52603E-01 11653 0.663E-01 0.625E+00
RMM: 25 -0.409972257678E+03 -0.50907E+00 -0.90819E-02 10676 0.286E-01 0.586E+00
RMM: 26 -0.410413638712E+03 -0.44138E+00 -0.39035E-02 10651 0.180E-01 0.574E+00
RMM: 27 -0.410789334329E+03 -0.37570E+00 -0.25912E-02 10801 0.140E-01 0.577E+00
RMM: 28 -0.410130145104E+03 0.65919E+00 -0.10000E-01 12313 0.348E-01 0.492E+00
RMM: 29 -0.409934955010E+03 0.19519E+00 -0.21850E-01 14195 0.559E-01 0.481E+00
RMM: 30 -0.409674291842E+03 0.26066E+00 -0.11154E-01 13429 0.418E-01 0.572E+00
RMM: 31 -0.410258546506E+03 -0.58425E+00 -0.29226E-02 10757 0.227E-01 0.549E+00
RMM: 32 -0.412562197646E+03 -0.23037E+01 -0.15425E+00 16533 0.118E+00 0.639E+00
RMM: 33 -0.414442979620E+03 -0.18808E+01 -0.51038E-01 15791 0.683E-01 0.486E+00
RMM: 34 -0.415460125862E+03 -0.10171E+01 -0.20168E-01 14291 0.475E-01 0.855E+00
RMM: 35 -0.414622051087E+03 0.83807E+00 -0.88516E-03 10626 0.147E-01 0.819E+00
RMM: 36 -0.414544027325E+03 0.78024E-01 -0.64367E-03 10605 0.775E-02 0.785E+00
RMM: 37 -0.414618916245E+03 -0.74889E-01 -0.11398E-03 10568 0.468E-02 0.800E+00
RMM: 38 -0.414557888456E+03 0.61028E-01 -0.73889E-03 12719 0.942E-02 0.694E+00
RMM: 39 -0.415191647703E+03 -0.63376E+00 -0.11598E-01 17429 0.350E-01 0.586E+00
RMM: 40 -0.415958956948E+03 -0.76731E+00 -0.56876E-02 16563 0.312E-01 0.562E+00
RMM: 41 -0.415767489512E+03 0.19147E+00 -0.21660E-02 15256 0.168E-01 0.543E+00
RMM: 42 -0.416033383462E+03 -0.26589E+00 -0.24404E-02 15510 0.177E-01 0.529E+00
RMM: 43 -0.416199644308E+03 -0.16626E+00 -0.19484E-02 14883 0.153E-01 0.483E+00
RMM: 44 -0.416291470421E+03 -0.91826E-01 -0.11647E-02 13618 0.115E-01 0.220E+00
RMM: 45 -0.416721197816E+03 -0.42973E+00 -0.10813E-02 13766 0.135E-01 0.134E+00
RMM: 46 -0.416963575287E+03 -0.24238E+00 -0.46853E-03 12627 0.861E-02 0.119E+00
RMM: 47 -0.417085607688E+03 -0.12203E+00 -0.55264E-03 12788 0.815E-02 0.980E-01
RMM: 48 -0.417197301020E+03 -0.11169E+00 -0.10109E-02 13838 0.105E-01 0.943E-01
RMM: 49 -0.417258788570E+03 -0.61488E-01 -0.61994E-03 12894 0.823E-02 0.801E-01
RMM: 50 -0.417306422108E+03 -0.47634E-01 -0.45477E-03 12334 0.705E-02 0.718E-01
RMM: 51 -0.417371015305E+03 -0.64593E-01 -0.63407E-03 12489 0.926E-02 0.760E-01
RMM: 52 -0.417342863360E+03 0.28152E-01 -0.21267E-03 11225 0.499E-02 0.741E-01
RMM: 53 -0.417349172826E+03 -0.63095E-02 -0.56816E-03 12303 0.720E-02 0.618E-01
RMM: 54 -0.417441541634E+03 -0.92369E-01 -0.46484E-03 12170 0.624E-02 0.552E-01
RMM: 55 -0.417522987483E+03 -0.81446E-01 -0.54842E-03 12430 0.658E-02 0.649E-01
RMM: 56 -0.417562615862E+03 -0.39628E-01 -0.46387E-03 12036 0.598E-02 0.842E-01
RMM: 57 -0.417573463606E+03 -0.10848E-01 -0.25081E-03 11538 0.423E-02 0.965E-01
RMM: 58 -0.417571070068E+03 0.23935E-02 -0.11559E-03 10799 0.267E-02 0.108E+00
RMM: 59 -0.417568752622E+03 0.23174E-02 -0.19944E-04 9580 0.125E-02 0.113E+00
RMM: 60 -0.417601662595E+03 -0.32910E-01 -0.25296E-03 12237 0.335E-02 0.102E+00
RMM: 61 -0.417661547086E+03 -0.59884E-01 -0.45961E-03 13692 0.464E-02 0.964E-01
RMM: 62 -0.417686455189E+03 -0.24908E-01 -0.17199E-03 12324 0.314E-02 0.693E-01
RMM: 63 -0.417741426194E+03 -0.54971E-01 -0.30247E-03 13032 0.404E-02 0.518E-01
RMM: 64 -0.417761166489E+03 -0.19740E-01 -0.12521E-03 11803 0.262E-02 0.489E-01
RMM: 65 -0.417772612760E+03 -0.11446E-01 -0.64766E-04 11521 0.209E-02 0.402E-01
RMM: 66 -0.417781263348E+03 -0.86506E-02 -0.13223E-04 10729 0.125E-02 0.362E-01
RMM: 67 -0.417787759517E+03 -0.64962E-02 -0.92010E-05 9494 0.102E-02 0.350E-01
RMM: 68 -0.417791426038E+03 -0.36665E-02 -0.64192E-05 8495 0.758E-03 0.340E-01
RMM: 69 -0.417793281249E+03 -0.18552E-02 -0.72833E-05 8437 0.730E-03 0.341E-01
RMM: 70 -0.417793531654E+03 -0.25041E-03 -0.72353E-05 7729 0.776E-03 0.347E-01
RMM: 71 -0.417793818900E+03 -0.28725E-03 -0.25492E-05 7175 0.484E-03 0.348E-01
RMM: 72 -0.417793501955E+03 0.31695E-03 -0.22100E-05 6940 0.381E-03 0.348E-01
RMM: 73 -0.417792787124E+03 0.71483E-03 -0.18884E-05 6880 0.337E-03 0.343E-01
RMM: 74 -0.417792103733E+03 0.68339E-03 -0.15944E-05 6569 0.295E-03 0.335E-01
RMM: 75 -0.417791556296E+03 0.54744E-03 -0.13535E-05 6323 0.268E-03 0.327E-01
RMM: 76 -0.417777361153E+03 0.14195E-01 -0.23532E-03 13870 0.308E-02 0.369E-01
RMM: 77 -0.417779063721E+03 -0.17026E-02 -0.14332E-04 8425 0.945E-03 0.324E-01
RMM: 78 -0.417779804958E+03 -0.74124E-03 -0.45757E-04 10517 0.139E-02 0.256E-01
RMM: 79 -0.417779459456E+03 0.34550E-03 -0.96179E-04 11876 0.199E-02 0.164E-01
RMM: 80 -0.417778692357E+03 0.76710E-03 -0.27955E-04 10168 0.113E-02 0.120E-01
RMM: 81 -0.417777773925E+03 0.91843E-03 -0.40924E-04 10936 0.134E-02 0.744E-02
RMM: 82 -0.417777945964E+03 -0.17204E-03 -0.19759E-05 7190 0.451E-03 0.622E-02
RMM: 83 -0.417777608833E+03 0.33713E-03 -0.48376E-05 7777 0.522E-03 0.477E-02
RMM: 84 -0.417777479825E+03 0.12901E-03 -0.36030E-05 7354 0.455E-03 0.375E-02
RMM: 85 -0.417777572093E+03 -0.92267E-04 -0.40471E-05 7603 0.464E-03 0.255E-02
RMM: 86 -0.417777736034E+03 -0.16394E-03 -0.12238E-04 8870 0.730E-03 0.111E-02
RMM: 87 -0.417777873248E+03 -0.13721E-03 -0.49108E-06 6294 0.234E-03 0.115E-02
RMM: 88 -0.417778008163E+03 -0.13491E-03 -0.31524E-06 4984 0.154E-03 0.719E-03
RMM: 89 -0.417778106177E+03 -0.98014E-04 -0.12421E-06 3895 0.117E-03 0.231E-03
RMM: 90 -0.417778242061E+03 -0.13588E-03 -0.11666E-06 3980 0.117E-03 0.300E-03
RMM: 91 -0.417778376061E+03 -0.13400E-03 -0.15152E-06 4292 0.120E-03 0.344E-03
RMM: 92 -0.417778463516E+03 -0.87456E-04 -0.95585E-07 3548 0.104E-03 0.304E-03
RMM: 93 -0.417778528804E+03 -0.65287E-04 -0.49909E-07 3034 0.924E-04 0.228E-03
RMM: 94 -0.417778580925E+03 -0.52122E-04 -0.50496E-07 3148 0.936E-04 0.230E-03
RMM: 95 -0.417778639562E+03 -0.58636E-04 -0.53110E-07 3177 0.952E-04 0.132E-03
RMM: 96 -0.417778680208E+03 -0.40646E-04 -0.33489E-07 2883 0.897E-04 0.587E-04
RMM: 97 -0.417778703613E+03 -0.23405E-04 -0.21187E-07 2744 0.895E-04 0.202E-03
RMM: 98 -0.417778711410E+03 -0.77974E-05 -0.68772E-08 2433 0.849E-04
1 F= -.45541228E+03 E0= -.45541264E+03 d E =0.110160E-02 mag= 0.0002