iterations/neb1_max2_image01_iter34_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422382997820E+04 0.42238E+04 -0.25383E+05 8992 0.103E+03
DAV: 2 -0.104461211962E+03 -0.43283E+04 -0.39240E+04 11000 0.248E+02
DAV: 3 -0.427212646116E+03 -0.32275E+03 -0.30146E+03 10240 0.657E+01
DAV: 4 -0.435646046596E+03 -0.84334E+01 -0.83344E+01 10640 0.107E+01
DAV: 5 -0.435952789449E+03 -0.30674E+00 -0.30591E+00 11208 0.198E+00 0.998E+01
RMM: 6 -0.389059389234E+03 0.46893E+02 -0.11142E+02 9707 0.146E+01 0.731E+01
RMM: 7 -0.804936113766E+03 -0.41588E+03 -0.44541E+02 11333 0.194E+01 0.149E+02
RMM: 8 -0.498300069194E+03 0.30664E+03 -0.11679E+02 10021 0.113E+01 0.915E+01
RMM: 9 -0.418182733983E+03 0.80117E+02 -0.66638E+01 10176 0.106E+01 0.572E+01
RMM: 10 -0.400696055273E+03 0.17487E+02 -0.42036E+01 10333 0.853E+00 0.457E+01
RMM: 11 -0.387152855310E+03 0.13543E+02 -0.25428E+01 10327 0.594E+00 0.443E+01
RMM: 12 -0.374049564352E+03 0.13103E+02 -0.80192E+00 10012 0.382E+00 0.300E+01
RMM: 13 -0.374041021755E+03 0.85426E-02 -0.36584E+00 10158 0.256E+00 0.234E+01
RMM: 14 -0.372579731000E+03 0.14613E+01 -0.13525E+00 10126 0.154E+00 0.155E+01
RMM: 15 -0.376015602194E+03 -0.34359E+01 -0.13481E+00 10429 0.147E+00 0.116E+01
RMM: 16 -0.380966408667E+03 -0.49508E+01 -0.10924E+00 10391 0.136E+00 0.116E+01
RMM: 17 -0.387783771475E+03 -0.68174E+01 -0.23987E+00 11523 0.185E+00 0.105E+01
RMM: 18 -0.391190921511E+03 -0.34072E+01 -0.11428E+00 10810 0.127E+00 0.710E+00
RMM: 19 -0.393859833518E+03 -0.26689E+01 -0.37233E-01 10293 0.749E-01 0.706E+00
RMM: 20 -0.396726661474E+03 -0.28668E+01 -0.59400E-01 11172 0.851E-01 0.753E+00
RMM: 21 -0.400163370378E+03 -0.34367E+01 -0.11797E+00 12108 0.114E+00 0.693E+00
RMM: 22 -0.403673411964E+03 -0.35100E+01 -0.15286E+00 12554 0.120E+00 0.530E+00
RMM: 23 -0.408293282039E+03 -0.46199E+01 -0.22725E+00 13181 0.135E+00 0.601E+00
RMM: 24 -0.409954946705E+03 -0.16617E+01 -0.55529E-01 11733 0.690E-01 0.593E+00
RMM: 25 -0.410478462412E+03 -0.52352E+00 -0.11541E-01 10752 0.321E-01 0.692E+00
RMM: 26 -0.410272724648E+03 0.20574E+00 -0.37618E-02 10597 0.185E-01 0.607E+00
RMM: 27 -0.411989491812E+03 -0.17168E+01 -0.49107E-01 13642 0.617E-01 0.784E+00
RMM: 28 -0.412226187706E+03 -0.23670E+00 -0.65089E-02 11155 0.259E-01 0.646E+00
RMM: 29 -0.412499275007E+03 -0.27309E+00 -0.12040E-02 10421 0.121E-01 0.591E+00
RMM: 30 -0.412539746671E+03 -0.40472E-01 -0.79113E-03 10504 0.116E-01 0.617E+00
RMM: 31 -0.412685977681E+03 -0.14623E+00 -0.88470E-03 10987 0.117E-01 0.610E+00
RMM: 32 -0.413745770091E+03 -0.10598E+01 -0.40394E-01 16462 0.616E-01 0.718E+00
RMM: 33 -0.413800304423E+03 -0.54534E-01 -0.15406E-01 15663 0.423E-01 0.855E+00
RMM: 34 -0.413200014418E+03 0.60029E+00 -0.40536E-02 12234 0.189E-01 0.591E+00
RMM: 35 -0.413372500058E+03 -0.17249E+00 -0.14656E-01 13871 0.301E-01 0.624E+00
RMM: 36 -0.413014461972E+03 0.35804E+00 -0.37809E-01 15552 0.469E-01 0.561E+00
RMM: 37 -0.413376032952E+03 -0.36157E+00 -0.22624E-01 15496 0.444E-01 0.466E+00
RMM: 38 -0.413634371959E+03 -0.25834E+00 -0.11454E+00 15863 0.769E-01 0.494E+00
RMM: 39 -0.413278010085E+03 0.35636E+00 -0.45294E-01 13805 0.468E-01 0.505E+00
RMM: 40 -0.413323513797E+03 -0.45504E-01 -0.76138E-03 10596 0.847E-02 0.483E+00
RMM: 41 -0.413597331726E+03 -0.27382E+00 -0.12121E-01 14492 0.269E-01 0.426E+00
RMM: 42 -0.413435621793E+03 0.16171E+00 -0.80057E-02 15149 0.262E-01 0.387E+00
RMM: 43 -0.413618568681E+03 -0.18295E+00 -0.46391E-02 14666 0.209E-01 0.614E+00
RMM: 44 -0.414607632022E+03 -0.98906E+00 -0.51372E-01 14196 0.473E-01 0.521E+00
RMM: 45 -0.415012721058E+03 -0.40509E+00 -0.23682E-01 13034 0.311E-01 0.479E+00
RMM: 46 -0.415208898763E+03 -0.19618E+00 -0.14258E-01 13376 0.246E-01 0.462E+00
RMM: 47 -0.415540328616E+03 -0.33143E+00 -0.19285E-01 13589 0.267E-01 0.287E+00
RMM: 48 -0.415711700550E+03 -0.17137E+00 -0.17998E-02 12893 0.151E-01 0.426E+00
RMM: 49 -0.415909688590E+03 -0.19799E+00 -0.50206E-02 13092 0.167E-01 0.380E+00
RMM: 50 -0.416174145729E+03 -0.26446E+00 -0.72843E-02 13298 0.175E-01 0.304E+00
RMM: 51 -0.416359560760E+03 -0.18542E+00 -0.71861E-02 14263 0.199E-01 0.230E+00
RMM: 52 -0.416383441757E+03 -0.23881E-01 -0.32050E-03 10942 0.578E-02 0.205E+00
RMM: 53 -0.416468759909E+03 -0.85318E-01 -0.73417E-03 11933 0.746E-02 0.165E+00
RMM: 54 -0.416580325979E+03 -0.11157E+00 -0.95431E-03 12359 0.829E-02 0.123E+00
RMM: 55 -0.416711395714E+03 -0.13107E+00 -0.11179E-02 13043 0.978E-02 0.901E-01
RMM: 56 -0.416787319820E+03 -0.75924E-01 -0.54182E-03 11939 0.718E-02 0.736E-01
RMM: 57 -0.416851305624E+03 -0.63986E-01 -0.32481E-03 11701 0.552E-02 0.680E-01
RMM: 58 -0.416904943144E+03 -0.53638E-01 -0.34945E-03 11966 0.538E-02 0.650E-01
RMM: 59 -0.416970388585E+03 -0.65445E-01 -0.96559E-03 13261 0.800E-02 0.693E-01
RMM: 60 -0.417020023398E+03 -0.49635E-01 -0.61644E-03 12954 0.692E-02 0.710E-01
RMM: 61 -0.417040909565E+03 -0.20886E-01 -0.25561E-03 11816 0.455E-02 0.661E-01
RMM: 62 -0.417057275068E+03 -0.16366E-01 -0.18812E-03 11515 0.360E-02 0.582E-01
RMM: 63 -0.417077173697E+03 -0.19899E-01 -0.16635E-03 11453 0.311E-02 0.501E-01
RMM: 64 -0.417102508061E+03 -0.25334E-01 -0.64610E-04 10599 0.208E-02 0.444E-01
RMM: 65 -0.417125932387E+03 -0.23424E-01 -0.44570E-04 10162 0.177E-02 0.413E-01
RMM: 66 -0.417137072375E+03 -0.11140E-01 -0.24418E-04 10443 0.137E-02 0.400E-01
RMM: 67 -0.417139880499E+03 -0.28081E-02 -0.10954E-04 9646 0.981E-03 0.391E-01
RMM: 68 -0.417139320690E+03 0.55981E-03 -0.20663E-04 10287 0.110E-02 0.373E-01
RMM: 69 -0.417137977295E+03 0.13434E-02 -0.14067E-04 9505 0.916E-03 0.360E-01
RMM: 70 -0.417137456482E+03 0.52081E-03 -0.42336E-05 7843 0.558E-03 0.354E-01
RMM: 71 -0.417139805813E+03 -0.23493E-02 -0.24319E-04 9690 0.113E-02 0.377E-01
RMM: 72 -0.417137911424E+03 0.18944E-02 -0.18243E-04 9201 0.970E-03 0.359E-01
RMM: 73 -0.417135622972E+03 0.22885E-02 -0.25586E-04 10237 0.110E-02 0.347E-01
RMM: 74 -0.417132140393E+03 0.34826E-02 -0.29182E-04 10756 0.117E-02 0.332E-01
RMM: 75 -0.417130905253E+03 0.12351E-02 -0.39161E-05 7530 0.491E-03 0.324E-01
RMM: 76 -0.417092229054E+03 0.38676E-01 -0.68510E-03 15869 0.539E-02 0.287E-01
RMM: 77 -0.417099422711E+03 -0.71937E-02 -0.15602E-03 13703 0.263E-02 0.198E-01
RMM: 78 -0.417104814060E+03 -0.53913E-02 -0.66270E-04 12234 0.174E-02 0.132E-01
RMM: 79 -0.417108677269E+03 -0.38632E-02 -0.23514E-04 10247 0.110E-02 0.785E-02
RMM: 80 -0.417112142716E+03 -0.34654E-02 -0.55460E-05 7908 0.682E-03 0.544E-02
RMM: 81 -0.417115042761E+03 -0.29000E-02 -0.58536E-05 8171 0.619E-03 0.430E-02
RMM: 82 -0.417115368875E+03 -0.32611E-03 -0.16716E-05 6822 0.356E-03 0.324E-02
RMM: 83 -0.417115726402E+03 -0.35753E-03 -0.20176E-05 6701 0.349E-03 0.218E-02
RMM: 84 -0.417116270019E+03 -0.54362E-03 -0.17987E-05 6814 0.337E-03 0.112E-02
RMM: 85 -0.417116553370E+03 -0.28335E-03 -0.71507E-06 5886 0.224E-03 0.139E-02
RMM: 86 -0.417116786348E+03 -0.23298E-03 -0.38869E-06 4852 0.170E-03 0.852E-03
RMM: 87 -0.417117037228E+03 -0.25088E-03 -0.80336E-06 6155 0.227E-03 0.362E-03
RMM: 88 -0.417117227850E+03 -0.19062E-03 -0.31036E-06 4934 0.158E-03 0.385E-03
RMM: 89 -0.417117296932E+03 -0.69082E-04 -0.10514E-06 3817 0.111E-03 0.351E-03
RMM: 90 -0.417117377175E+03 -0.80243E-04 -0.13746E-06 4316 0.118E-03 0.320E-03
RMM: 91 -0.417117334101E+03 0.43075E-04 -0.14032E-06 3903 0.119E-03 0.252E-03
RMM: 92 -0.417117366253E+03 -0.32152E-04 -0.26203E-07 2968 0.889E-04 0.178E-03
RMM: 93 -0.417117386069E+03 -0.19816E-04 -0.33312E-07 3098 0.909E-04 0.878E-04
RMM: 94 -0.417117400973E+03 -0.14904E-04 -0.26664E-07 3033 0.895E-04 0.915E-04
RMM: 95 -0.417117416569E+03 -0.15597E-04 -0.39724E-07 3496 0.102E-03 0.165E-03
RMM: 96 -0.417117419225E+03 -0.26559E-05 -0.12928E-07 2841 0.879E-04
1 F= -.45481590E+03 E0= -.45481601E+03 d E =0.341287E-03 mag= 0.0001