iterations/neb1_max2_image04_iter31_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422631208343E+04 0.42263E+04 -0.25385E+05 8992 0.103E+03
DAV: 2 -0.102986423752E+03 -0.43293E+04 -0.39265E+04 11000 0.248E+02
DAV: 3 -0.425716794775E+03 -0.32273E+03 -0.30222E+03 10248 0.657E+01
DAV: 4 -0.434250500233E+03 -0.85337E+01 -0.84243E+01 10888 0.107E+01
DAV: 5 -0.434542508898E+03 -0.29201E+00 -0.29120E+00 11080 0.194E+00 0.986E+01
RMM: 6 -0.378065863619E+03 0.56477E+02 -0.11456E+02 9678 0.146E+01 0.679E+01
RMM: 7 -0.533399260972E+03 -0.15533E+03 -0.18515E+02 10109 0.155E+01 0.957E+01
RMM: 8 -0.468718675748E+03 0.64681E+02 -0.88964E+01 10183 0.114E+01 0.736E+01
RMM: 9 -0.431257843250E+03 0.37461E+02 -0.43207E+01 10185 0.762E+00 0.612E+01
RMM: 10 -0.400661642934E+03 0.30596E+02 -0.45583E+01 10455 0.818E+00 0.470E+01
RMM: 11 -0.378089345233E+03 0.22572E+02 -0.83163E+00 9615 0.413E+00 0.298E+01
RMM: 12 -0.374708742825E+03 0.33806E+01 -0.58942E+00 10144 0.315E+00 0.230E+01
RMM: 13 -0.374099939794E+03 0.60880E+00 -0.27204E+00 10181 0.206E+00 0.140E+01
RMM: 14 -0.376626608448E+03 -0.25267E+01 -0.11657E+00 10212 0.131E+00 0.120E+01
RMM: 15 -0.381142788138E+03 -0.45162E+01 -0.99158E-01 10367 0.127E+00 0.117E+01
RMM: 16 -0.387166827906E+03 -0.60240E+01 -0.26868E+00 11571 0.191E+00 0.103E+01
RMM: 17 -0.392612828942E+03 -0.54460E+01 -0.18682E+00 11354 0.158E+00 0.881E+00
RMM: 18 -0.393645198530E+03 -0.10324E+01 -0.32273E-01 10166 0.738E-01 0.748E+00
RMM: 19 -0.396347462174E+03 -0.27023E+01 -0.63265E-01 11175 0.870E-01 0.670E+00
RMM: 20 -0.398851726421E+03 -0.25043E+01 -0.54334E-01 11442 0.783E-01 0.606E+00
RMM: 21 -0.399605638694E+03 -0.75391E+00 -0.81692E-02 10484 0.320E-01 0.581E+00
RMM: 22 -0.401323826765E+03 -0.17182E+01 -0.35420E-01 11796 0.606E-01 0.554E+00
RMM: 23 -0.404981124024E+03 -0.36573E+01 -0.15163E+00 13912 0.120E+00 0.510E+00
RMM: 24 -0.408743195863E+03 -0.37621E+01 -0.15195E+00 14260 0.114E+00 0.615E+00
RMM: 25 -0.410611444363E+03 -0.18682E+01 -0.82940E-01 13487 0.837E-01 0.590E+00
RMM: 26 -0.411376769725E+03 -0.76533E+00 -0.91399E-02 10910 0.312E-01 0.584E+00
RMM: 27 -0.411426696541E+03 -0.49927E-01 -0.29752E-02 10258 0.204E-01 0.548E+00
RMM: 28 -0.411214123525E+03 0.21257E+00 -0.59544E-02 11053 0.298E-01 0.522E+00
RMM: 29 -0.411121366221E+03 0.92757E-01 -0.45073E-02 10683 0.274E-01 0.480E+00
RMM: 30 -0.411055482327E+03 0.65884E-01 -0.11945E-01 12113 0.432E-01 0.565E+00
RMM: 31 -0.411220695320E+03 -0.16521E+00 -0.69341E-03 10014 0.116E-01 0.542E+00
RMM: 32 -0.412084594134E+03 -0.86390E+00 -0.72394E-01 16182 0.919E-01 0.549E+00
RMM: 33 -0.412479679097E+03 -0.39508E+00 -0.27925E-01 15598 0.586E-01 0.504E+00
RMM: 34 -0.413403202317E+03 -0.92352E+00 -0.11763E-01 14200 0.379E-01 0.309E+00
RMM: 35 -0.413646549945E+03 -0.24335E+00 -0.83819E-03 10550 0.122E-01 0.271E+00
RMM: 36 -0.413782605059E+03 -0.13606E+00 -0.79651E-03 10477 0.125E-01 0.261E+00
RMM: 37 -0.414425000952E+03 -0.64240E+00 -0.54624E-02 13553 0.294E-01 0.149E+00
RMM: 38 -0.414938705057E+03 -0.51370E+00 -0.28638E-02 12516 0.203E-01 0.102E+00
RMM: 39 -0.415384471927E+03 -0.44577E+00 -0.16537E-02 11600 0.141E-01 0.104E+00
RMM: 40 -0.415604894728E+03 -0.22042E+00 -0.97082E-03 11070 0.106E-01 0.753E-01
RMM: 41 -0.415732195084E+03 -0.12730E+00 -0.21222E-02 11973 0.136E-01 0.699E-01
RMM: 42 -0.415711928787E+03 0.20266E-01 -0.10200E-02 11395 0.101E-01 0.664E-01
RMM: 43 -0.415768835255E+03 -0.56906E-01 -0.95863E-03 11492 0.905E-02 0.622E-01
RMM: 44 -0.415887825547E+03 -0.11899E+00 -0.10173E-02 11783 0.890E-02 0.491E-01
RMM: 45 -0.416044282781E+03 -0.15646E+00 -0.93852E-03 11974 0.858E-02 0.367E-01
RMM: 46 -0.416130810816E+03 -0.86528E-01 -0.42665E-03 11291 0.643E-02 0.289E-01
RMM: 47 -0.416185154008E+03 -0.54343E-01 -0.18571E-03 10894 0.397E-02 0.198E-01
RMM: 48 -0.416293524259E+03 -0.10837E+00 -0.25479E-03 11506 0.425E-02 0.163E-01
RMM: 49 -0.416350960794E+03 -0.57437E-01 -0.68582E-04 10737 0.246E-02 0.103E-01
RMM: 50 -0.416369315552E+03 -0.18355E-01 -0.32474E-04 10562 0.166E-02 0.648E-02
RMM: 51 -0.416373897384E+03 -0.45818E-02 -0.13433E-04 10149 0.123E-02 0.494E-02
RMM: 52 -0.416380468649E+03 -0.65713E-02 -0.94429E-05 9112 0.866E-03 0.410E-02
RMM: 53 -0.416384270795E+03 -0.38021E-02 -0.58282E-05 8613 0.735E-03 0.337E-02
RMM: 54 -0.416386637961E+03 -0.23672E-02 -0.29659E-05 7781 0.512E-03 0.266E-02
RMM: 55 -0.416387898711E+03 -0.12607E-02 -0.13722E-05 6931 0.344E-03 0.201E-02
RMM: 56 -0.416388797491E+03 -0.89878E-03 -0.12353E-05 6823 0.353E-03 0.122E-02
RMM: 57 -0.416389379250E+03 -0.58176E-03 -0.60099E-06 6477 0.227E-03 0.212E-02
RMM: 58 -0.416390029396E+03 -0.65015E-03 -0.42618E-06 6512 0.224E-03 0.212E-02
RMM: 59 -0.416390221142E+03 -0.19175E-03 -0.14071E-06 4115 0.111E-03 0.164E-02
RMM: 60 -0.416390299391E+03 -0.78248E-04 -0.25891E-06 6188 0.158E-03 0.876E-03
RMM: 61 -0.416390338376E+03 -0.38985E-04 -0.42180E-07 3300 0.949E-04 0.777E-03
RMM: 62 -0.416390392253E+03 -0.53877E-04 -0.37432E-07 3282 0.929E-04 0.902E-03
RMM: 63 -0.416390418510E+03 -0.26256E-04 -0.31878E-07 3070 0.917E-04 0.599E-03
RMM: 64 -0.416390495701E+03 -0.77191E-04 -0.85145E-07 4133 0.111E-03 0.328E-03
RMM: 65 -0.416390626471E+03 -0.13077E-03 -0.10177E-06 4145 0.108E-03 0.245E-03
RMM: 66 -0.416390709273E+03 -0.82801E-04 -0.61823E-07 3710 0.958E-04 0.459E-03
RMM: 67 -0.416390760891E+03 -0.51619E-04 -0.22651E-07 2811 0.785E-04 0.220E-03
RMM: 68 -0.416390801251E+03 -0.40360E-04 -0.31981E-07 3068 0.838E-04 0.141E-03
RMM: 69 -0.416390827087E+03 -0.25836E-04 -0.26162E-07 2876 0.820E-04 0.121E-03
RMM: 70 -0.416390849562E+03 -0.22475E-04 -0.33125E-07 3127 0.865E-04 0.171E-03
RMM: 71 -0.416390859856E+03 -0.10293E-04 -0.12212E-07 2548 0.771E-04 0.460E-04
RMM: 72 -0.416390872437E+03 -0.12582E-04 -0.19913E-07 2786 0.799E-04 0.123E-03
RMM: 73 -0.416390878570E+03 -0.61327E-05 -0.78704E-08 2395 0.763E-04
1 F= -.45410977E+03 E0= -.45410911E+03 d E =-.196026E-02 mag= -0.0005