iterations/neb1_max2_image02_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421999203587E+04 0.42200E+04 -0.25378E+05 8992 0.103E+03
DAV: 2 -0.103327161386E+03 -0.43233E+04 -0.39195E+04 10968 0.248E+02
DAV: 3 -0.427051546010E+03 -0.32372E+03 -0.30224E+03 10232 0.657E+01
DAV: 4 -0.435643839080E+03 -0.85923E+01 -0.84871E+01 10784 0.108E+01
DAV: 5 -0.435941463591E+03 -0.29762E+00 -0.29675E+00 11040 0.195E+00 0.988E+01
RMM: 6 -0.389885365136E+03 0.46056E+02 -0.11147E+02 9688 0.146E+01 0.740E+01
RMM: 7 -0.810351291055E+03 -0.42047E+03 -0.44319E+02 11330 0.193E+01 0.150E+02
RMM: 8 -0.492828236909E+03 0.31752E+03 -0.10823E+02 9963 0.110E+01 0.903E+01
RMM: 9 -0.426610926461E+03 0.66217E+02 -0.66465E+01 10153 0.106E+01 0.613E+01
RMM: 10 -0.372862841227E+03 0.53748E+02 -0.36728E+01 10307 0.782E+00 0.280E+01
RMM: 11 -0.387033891191E+03 -0.14171E+02 -0.17633E+01 10409 0.474E+00 0.420E+01
RMM: 12 -0.374529192115E+03 0.12505E+02 -0.48048E+00 9969 0.303E+00 0.249E+01
RMM: 13 -0.372253473019E+03 0.22757E+01 -0.19024E+00 10186 0.193E+00 0.167E+01
RMM: 14 -0.374671913847E+03 -0.24184E+01 -0.12211E+00 10207 0.147E+00 0.127E+01
RMM: 15 -0.381271929114E+03 -0.66000E+01 -0.16043E+00 10694 0.164E+00 0.150E+01
RMM: 16 -0.385694390213E+03 -0.44225E+01 -0.20521E+00 11015 0.177E+00 0.130E+01
RMM: 17 -0.388424149275E+03 -0.27298E+01 -0.13354E+00 10761 0.140E+00 0.940E+00
RMM: 18 -0.392390999465E+03 -0.39669E+01 -0.10970E+00 10914 0.125E+00 0.845E+00
RMM: 19 -0.395067613209E+03 -0.26766E+01 -0.73412E-01 10759 0.104E+00 0.720E+00
RMM: 20 -0.397187386288E+03 -0.21198E+01 -0.43226E-01 10637 0.775E-01 0.664E+00
RMM: 21 -0.399014027863E+03 -0.18266E+01 -0.41677E-01 11074 0.719E-01 0.649E+00
RMM: 22 -0.401852221622E+03 -0.28382E+01 -0.10099E+00 12152 0.104E+00 0.736E+00
RMM: 23 -0.405665871369E+03 -0.38136E+01 -0.21467E+00 13068 0.131E+00 0.542E+00
RMM: 24 -0.409122968823E+03 -0.34571E+01 -0.12630E+00 12548 0.993E-01 0.536E+00
RMM: 25 -0.410022392867E+03 -0.89942E+00 -0.66524E-02 10439 0.282E-01 0.489E+00
RMM: 26 -0.410835154804E+03 -0.81276E+00 -0.12379E-01 11260 0.318E-01 0.703E+00
RMM: 27 -0.410577321721E+03 0.25783E+00 -0.56205E-02 10552 0.244E-01 0.915E+00
RMM: 28 -0.411029689962E+03 -0.45237E+00 -0.75317E-02 11444 0.250E-01 0.947E+00
RMM: 29 -0.409896232789E+03 0.11335E+01 -0.89099E-02 11643 0.287E-01 0.740E+00
RMM: 30 -0.410522701291E+03 -0.62647E+00 -0.13353E-01 12777 0.335E-01 0.538E+00
RMM: 31 -0.411078512829E+03 -0.55581E+00 -0.95531E-02 11512 0.272E-01 0.562E+00
RMM: 32 -0.410840527249E+03 0.23799E+00 -0.86979E-02 11484 0.233E-01 0.595E+00
RMM: 33 -0.410206946371E+03 0.63358E+00 -0.57237E-01 14230 0.567E-01 0.820E+00
RMM: 34 -0.409353427186E+03 0.85352E+00 -0.12084E+00 13727 0.838E-01 0.729E+00
RMM: 35 -0.408744195259E+03 0.60923E+00 -0.26040E-01 12218 0.441E-01 0.673E+00
RMM: 36 -0.409738205261E+03 -0.99401E+00 -0.44448E-01 13692 0.533E-01 0.768E+00
RMM: 37 -0.408866922718E+03 0.87128E+00 -0.17037E+00 15534 0.107E+00 0.735E+00
RMM: 38 -0.406718443629E+03 0.21485E+01 -0.10084E+00 14672 0.795E-01 0.742E+00
RMM: 39 -0.402956122794E+03 0.37623E+01 -0.17963E+00 15034 0.111E+00 0.837E+00
RMM: 40 -0.402938703730E+03 0.17419E-01 -0.98531E-03 10691 0.119E-01 0.832E+00
RMM: 41 -0.403838615148E+03 -0.89991E+00 -0.91910E-02 12048 0.272E-01 0.808E+00
RMM: 42 -0.409918960388E+03 -0.60803E+01 -0.46945E+00 17677 0.146E+00 0.736E+00
RMM: 43 -0.412732764734E+03 -0.28138E+01 -0.34197E+00 17598 0.114E+00 0.860E+00
RMM: 44 -0.413671960022E+03 -0.93920E+00 -0.17956E+00 16752 0.818E-01 0.859E+00
RMM: 45 -0.413940588929E+03 -0.26863E+00 -0.23601E-02 11920 0.131E-01 0.835E+00
RMM: 46 -0.413857489571E+03 0.83099E-01 -0.10654E-01 12145 0.267E-01 0.835E+00
RMM: 47 -0.413884180704E+03 -0.26691E-01 -0.16237E-02 11380 0.109E-01 0.834E+00
RMM: 48 -0.413924609895E+03 -0.40429E-01 -0.29878E-03 10476 0.543E-02 0.834E+00
RMM: 49 -0.413736449697E+03 0.18816E+00 -0.18532E-01 13578 0.306E-01 0.827E+00
RMM: 50 -0.413009127835E+03 0.72732E+00 -0.65699E-01 16610 0.541E-01 0.813E+00
RMM: 51 -0.403703090068E+03 0.93060E+01 -0.10962E+01 17920 0.290E+00 0.100E+01
RMM: 52 -0.401844067034E+03 0.18590E+01 -0.45703E-01 17629 0.607E-01 0.973E+00
RMM: 53 -0.401903170568E+03 -0.59104E-01 -0.61878E-03 11931 0.881E-02 0.957E+00
RMM: 54 -0.403320510604E+03 -0.14173E+01 -0.12876E-01 16828 0.373E-01 0.866E+00
RMM: 55 -0.409172131637E+03 -0.58516E+01 -0.49573E+00 17917 0.159E+00 0.781E+00
RMM: 56 -0.410547074573E+03 -0.13749E+01 -0.12365E+00 17902 0.794E-01 0.824E+00
RMM: 57 -0.411886445831E+03 -0.13394E+01 -0.20677E+00 17899 0.102E+00 0.915E+00
RMM: 58 -0.412752636218E+03 -0.86619E+00 -0.11378E-01 17643 0.355E-01 0.818E+00
RMM: 59 -0.413443044401E+03 -0.69041E+00 -0.34607E-02 16429 0.206E-01 0.745E+00
RMM: 60 -0.413952642863E+03 -0.50960E+00 -0.43573E-02 15841 0.234E-01 0.662E+00
RMM: 61 -0.414630682051E+03 -0.67804E+00 -0.66489E-02 16669 0.266E-01 0.540E+00
RMM: 62 -0.415159881352E+03 -0.52920E+00 -0.11184E-01 16848 0.315E-01 0.472E+00
RMM: 63 -0.415240048109E+03 -0.80167E-01 -0.20467E-01 16983 0.366E-01 0.443E+00
RMM: 64 -0.415494954651E+03 -0.25491E+00 -0.45018E-02 15958 0.216E-01 0.392E+00
RMM: 65 -0.416034869926E+03 -0.53992E+00 -0.48933E-01 17511 0.549E-01 0.326E+00
RMM: 66 -0.416310262156E+03 -0.27539E+00 -0.37325E-02 15389 0.184E-01 0.293E+00
RMM: 67 -0.416366095138E+03 -0.55833E-01 -0.35914E-02 15272 0.159E-01 0.254E+00
RMM: 68 -0.416361195850E+03 0.48993E-02 -0.99668E-02 16065 0.237E-01 0.216E+00
RMM: 69 -0.416334465423E+03 0.26730E-01 -0.46251E-04 10821 0.288E-02 0.215E+00
RMM: 70 -0.416325112640E+03 0.93528E-02 -0.19812E-04 10300 0.161E-02 0.218E+00
RMM: 71 -0.416408195627E+03 -0.83083E-01 -0.12240E-01 17867 0.288E-01 0.251E+00
RMM: 72 -0.416438000504E+03 -0.29805E-01 -0.68750E-03 16340 0.881E-02 0.247E+00
RMM: 73 -0.416432899460E+03 0.51010E-02 -0.24004E-03 14658 0.499E-02 0.236E+00
RMM: 74 -0.416474709912E+03 -0.41810E-01 -0.30575E-03 15287 0.570E-02 0.233E+00
RMM: 75 -0.416551945174E+03 -0.77235E-01 -0.69837E-03 16066 0.771E-02 0.213E+00
RMM: 76 -0.416676297600E+03 -0.12435E+00 -0.57251E-02 17734 0.190E-01 0.189E+00
RMM: 77 -0.416676057439E+03 0.24016E-03 -0.58149E-03 15609 0.766E-02 0.181E+00
RMM: 78 -0.416714742013E+03 -0.38685E-01 -0.37488E-03 15246 0.553E-02 0.169E+00
RMM: 79 -0.416735138455E+03 -0.20396E-01 -0.14886E-03 13457 0.314E-02 0.159E+00
RMM: 80 -0.416744071025E+03 -0.89326E-02 -0.11651E-03 13007 0.291E-02 0.149E+00
RMM: 81 -0.416459532162E+03 0.28454E+00 -0.24032E-01 17919 0.375E-01 0.129E+00
RMM: 82 -0.416489126805E+03 -0.29595E-01 -0.65258E-03 16532 0.942E-02 0.763E-01
RMM: 83 -0.416569165050E+03 -0.80038E-01 -0.19193E-03 14183 0.463E-02 0.705E-01
RMM: 84 -0.416541542542E+03 0.27623E-01 -0.19868E-03 14539 0.469E-02 0.524E-01
RMM: 85 -0.416555105230E+03 -0.13563E-01 -0.37005E-04 11859 0.231E-02 0.515E-01
RMM: 86 -0.416578081381E+03 -0.22976E-01 -0.38072E-03 14016 0.497E-02 0.334E-01
RMM: 87 -0.416616341987E+03 -0.38261E-01 -0.10505E-03 13170 0.331E-02 0.214E-01
RMM: 88 -0.416659287055E+03 -0.42945E-01 -0.52290E-04 12198 0.217E-02 0.163E-01
RMM: 89 -0.416669506150E+03 -0.10219E-01 -0.15074E-04 10769 0.134E-02 0.110E-01
RMM: 90 -0.416680906471E+03 -0.11400E-01 -0.12741E-04 10188 0.114E-02 0.932E-02
RMM: 91 -0.416688629009E+03 -0.77225E-02 -0.27745E-04 11446 0.150E-02 0.962E-02
RMM: 92 -0.416688719127E+03 -0.90118E-04 -0.44666E-05 8432 0.768E-03 0.796E-02
RMM: 93 -0.416690870010E+03 -0.21509E-02 -0.65570E-05 8794 0.721E-03 0.815E-02
RMM: 94 -0.416690906265E+03 -0.36255E-04 -0.56822E-05 8274 0.618E-03 0.920E-02
RMM: 95 -0.416691131099E+03 -0.22483E-03 -0.11321E-05 6605 0.350E-03 0.892E-02
RMM: 96 -0.416691713200E+03 -0.58210E-03 -0.43161E-04 11703 0.159E-02 0.661E-02
RMM: 97 -0.416692523659E+03 -0.81046E-03 -0.11543E-04 9684 0.994E-03 0.573E-02
RMM: 98 -0.416692485341E+03 0.38318E-04 -0.33932E-05 7595 0.535E-03 0.406E-02
RMM: 99 -0.416692717007E+03 -0.23167E-03 -0.46254E-05 7906 0.552E-03 0.271E-02
RMM: 100 -0.416693228734E+03 -0.51173E-03 -0.28501E-05 7510 0.464E-03 0.624E-02
RMM: 101 -0.416693264879E+03 -0.36145E-04 -0.10317E-05 6550 0.334E-03 0.154E-02
RMM: 102 -0.416693656072E+03 -0.39119E-03 -0.11804E-05 6656 0.298E-03 0.152E-02
RMM: 103 -0.416693983663E+03 -0.32759E-03 -0.18083E-05 7147 0.345E-03 0.307E-02
RMM: 104 -0.416694245726E+03 -0.26206E-03 -0.18992E-05 7160 0.343E-03 0.559E-02
RMM: 105 -0.416694235337E+03 0.10389E-04 -0.33630E-06 5213 0.181E-03 0.563E-02
RMM: 106 -0.416694174394E+03 0.60943E-04 -0.12525E-06 4077 0.129E-03 0.506E-02
RMM: 107 -0.416694251413E+03 -0.77018E-04 -0.23955E-07 2902 0.949E-04 0.547E-02
RMM: 108 -0.416694327427E+03 -0.76015E-04 -0.83224E-07 3928 0.114E-03 0.546E-02
RMM: 109 -0.416694361067E+03 -0.33639E-04 -0.38729E-07 3203 0.962E-04 0.498E-02
RMM: 110 -0.416694431961E+03 -0.70895E-04 -0.35009E-07 3287 0.944E-04 0.483E-02
RMM: 111 -0.416694383516E+03 0.48445E-04 -0.37816E-06 5526 0.171E-03 0.484E-02
RMM: 112 -0.416694426511E+03 -0.42995E-04 -0.47060E-07 3383 0.107E-03 0.504E-02
RMM: 113 -0.416694456747E+03 -0.30235E-04 -0.78195E-07 3681 0.109E-03 0.510E-02
RMM: 114 -0.416694457073E+03 -0.32584E-06 -0.84431E-08 2520 0.806E-04
1 F= -.45439718E+03 E0= -.45439794E+03 d E =0.228794E-02 mag= 0.0050