iterations/neb3_max1_image02_iter18_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422173714248E+04 0.42217E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.104666847905E+03 -0.43264E+04 -0.39293E+04 11008 0.248E+02
DAV: 3 -0.426379399081E+03 -0.32171E+03 -0.30124E+03 10312 0.655E+01
DAV: 4 -0.434882150542E+03 -0.85028E+01 -0.83464E+01 10856 0.107E+01
DAV: 5 -0.435170442246E+03 -0.28829E+00 -0.28759E+00 11232 0.191E+00 0.101E+02
RMM: 6 -0.388918574886E+03 0.46252E+02 -0.10718E+02 9690 0.142E+01 0.731E+01
RMM: 7 -0.833612489585E+03 -0.44469E+03 -0.47978E+02 11435 0.198E+01 0.153E+02
RMM: 8 -0.499184201257E+03 0.33443E+03 -0.12144E+02 10014 0.116E+01 0.924E+01
RMM: 9 -0.415165680860E+03 0.84019E+02 -0.67533E+01 10156 0.107E+01 0.569E+01
RMM: 10 -0.401273175892E+03 0.13893E+02 -0.44612E+01 10389 0.875E+00 0.474E+01
RMM: 11 -0.382953243218E+03 0.18320E+02 -0.23754E+01 10270 0.585E+00 0.418E+01
RMM: 12 -0.372854808796E+03 0.10098E+02 -0.75323E+00 9995 0.372E+00 0.261E+01
RMM: 13 -0.373798817761E+03 -0.94401E+00 -0.37555E+00 10166 0.258E+00 0.211E+01
RMM: 14 -0.373442889200E+03 0.35593E+00 -0.13400E+00 10150 0.155E+00 0.133E+01
RMM: 15 -0.378317805787E+03 -0.48749E+01 -0.14862E+00 10452 0.158E+00 0.123E+01
RMM: 16 -0.383733254275E+03 -0.54154E+01 -0.15060E+00 10572 0.160E+00 0.124E+01
RMM: 17 -0.389279656456E+03 -0.55464E+01 -0.22631E+00 11238 0.177E+00 0.106E+01
RMM: 18 -0.390150462376E+03 -0.87081E+00 -0.45935E-01 10180 0.881E-01 0.833E+00
RMM: 19 -0.391262020678E+03 -0.11116E+01 -0.15517E-01 10110 0.460E-01 0.663E+00
RMM: 20 -0.395822157593E+03 -0.45601E+01 -0.80910E-01 11994 0.969E-01 0.676E+00
RMM: 21 -0.400861873664E+03 -0.50397E+01 -0.20611E+00 13180 0.138E+00 0.622E+00
RMM: 22 -0.403934267914E+03 -0.30724E+01 -0.93846E-01 12559 0.959E-01 0.624E+00
RMM: 23 -0.407591054758E+03 -0.36568E+01 -0.15153E+00 13103 0.111E+00 0.647E+00
RMM: 24 -0.410078354810E+03 -0.24873E+01 -0.10313E+00 12684 0.904E-01 0.660E+00
RMM: 25 -0.410899107022E+03 -0.82075E+00 -0.19285E-01 11223 0.410E-01 0.616E+00
RMM: 26 -0.410920226325E+03 -0.21119E-01 -0.11701E-02 10611 0.125E-01 0.603E+00
RMM: 27 -0.411216111033E+03 -0.29588E+00 -0.24160E-02 10867 0.160E-01 0.560E+00
RMM: 28 -0.411492896999E+03 -0.27679E+00 -0.39664E-03 10526 0.676E-02 0.552E+00
RMM: 29 -0.411386359004E+03 0.10654E+00 -0.12294E-02 11121 0.130E-01 0.545E+00
RMM: 30 -0.410998059619E+03 0.38830E+00 -0.84400E-02 14670 0.340E-01 0.532E+00
RMM: 31 -0.410502627264E+03 0.49543E+00 -0.22739E-01 16487 0.583E-01 0.575E+00
RMM: 32 -0.410922966123E+03 -0.42034E+00 -0.15437E-02 11764 0.173E-01 0.569E+00
RMM: 33 -0.412354085125E+03 -0.14311E+01 -0.66103E-01 17402 0.900E-01 0.717E+00
RMM: 34 -0.413272758908E+03 -0.91867E+00 -0.45855E-01 17277 0.728E-01 0.446E+00
RMM: 35 -0.414300694630E+03 -0.10279E+01 -0.40931E-01 16909 0.660E-01 0.484E+00
RMM: 36 -0.414664211023E+03 -0.36352E+00 -0.55258E-02 14661 0.310E-01 0.367E+00
RMM: 37 -0.415370532075E+03 -0.70632E+00 -0.11423E-01 15645 0.414E-01 0.356E+00
RMM: 38 -0.415508910333E+03 -0.13838E+00 -0.51898E-02 14402 0.268E-01 0.289E+00
RMM: 39 -0.415818164848E+03 -0.30925E+00 -0.32444E-02 13584 0.214E-01 0.262E+00
RMM: 40 -0.416164120421E+03 -0.34596E+00 -0.23469E-02 12924 0.174E-01 0.205E+00
RMM: 41 -0.416373364619E+03 -0.20924E+00 -0.12279E-02 11682 0.141E-01 0.162E+00
RMM: 42 -0.416523549398E+03 -0.15018E+00 -0.77588E-03 11235 0.106E-01 0.144E+00
RMM: 43 -0.416588143512E+03 -0.64594E-01 -0.81612E-03 11469 0.103E-01 0.119E+00
RMM: 44 -0.416767396931E+03 -0.17925E+00 -0.15245E-02 12398 0.133E-01 0.727E-01
RMM: 45 -0.416922403400E+03 -0.15501E+00 -0.95685E-03 11767 0.106E-01 0.565E-01
RMM: 46 -0.417019782778E+03 -0.97379E-01 -0.62394E-03 11271 0.843E-02 0.478E-01
RMM: 47 -0.417057155710E+03 -0.37373E-01 -0.81206E-03 11767 0.903E-02 0.489E-01
RMM: 48 -0.417094621773E+03 -0.37466E-01 -0.59323E-03 11413 0.751E-02 0.752E-01
RMM: 49 -0.417098478919E+03 -0.38571E-02 -0.16130E-03 10629 0.437E-02 0.589E-01
RMM: 50 -0.417184909820E+03 -0.86431E-01 -0.38005E-03 11623 0.587E-02 0.310E-01
RMM: 51 -0.417238635356E+03 -0.53726E-01 -0.39056E-03 12055 0.611E-02 0.207E-01
RMM: 52 -0.417287686206E+03 -0.49051E-01 -0.26491E-03 11420 0.473E-02 0.152E-01
RMM: 53 -0.417325425296E+03 -0.37739E-01 -0.19446E-03 11377 0.369E-02 0.117E-01
RMM: 54 -0.417361358048E+03 -0.35933E-01 -0.61670E-04 10818 0.232E-02 0.109E-01
RMM: 55 -0.417406987388E+03 -0.45629E-01 -0.57121E-04 11195 0.208E-02 0.155E-01
RMM: 56 -0.417447276615E+03 -0.40289E-01 -0.33968E-04 10947 0.157E-02 0.107E-01
RMM: 57 -0.417460109016E+03 -0.12832E-01 -0.94391E-05 9203 0.952E-03 0.660E-02
RMM: 58 -0.417464693337E+03 -0.45843E-02 -0.70818E-05 8941 0.810E-03 0.257E-02
RMM: 59 -0.417466352572E+03 -0.16592E-02 -0.31557E-05 7750 0.550E-03 0.251E-02
RMM: 60 -0.417467282392E+03 -0.92982E-03 -0.12636E-05 6773 0.353E-03 0.182E-02
RMM: 61 -0.417467773749E+03 -0.49136E-03 -0.26625E-05 7028 0.490E-03 0.211E-02
RMM: 62 -0.417468156541E+03 -0.38279E-03 -0.45491E-06 6381 0.246E-03 0.159E-02
RMM: 63 -0.417468324087E+03 -0.16755E-03 -0.39130E-06 6073 0.176E-03 0.951E-03
RMM: 64 -0.417468416218E+03 -0.92131E-04 -0.46081E-06 6455 0.191E-03 0.466E-03
RMM: 65 -0.417468553901E+03 -0.13768E-03 -0.16789E-06 4014 0.114E-03 0.327E-03
RMM: 66 -0.417468661437E+03 -0.10754E-03 -0.12440E-06 3942 0.113E-03 0.326E-03
RMM: 67 -0.417468690719E+03 -0.29282E-04 -0.10501E-06 3790 0.105E-03 0.245E-03
RMM: 68 -0.417468731499E+03 -0.40780E-04 -0.68205E-07 3539 0.101E-03 0.229E-03
RMM: 69 -0.417468753578E+03 -0.22079E-04 -0.27092E-07 2821 0.885E-04 0.138E-03
RMM: 70 -0.417468780088E+03 -0.26509E-04 -0.20462E-07 2628 0.874E-04 0.125E-03
RMM: 71 -0.417468801027E+03 -0.20940E-04 -0.24513E-07 2688 0.889E-04 0.854E-04
RMM: 72 -0.417468816145E+03 -0.15117E-04 -0.19556E-07 2634 0.865E-04 0.623E-04
RMM: 73 -0.417468823606E+03 -0.74615E-05 -0.10633E-07 2411 0.834E-04
1 F= -.45513485E+03 E0= -.45513560E+03 d E =0.223981E-02 mag= -0.0004