iterations/neb2_max2_image03_iter13_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.422762509497E+04 0.42276E+04 -0.25386E+05 8992 0.103E+03
DAV: 2 -0.102155893505E+03 -0.43298E+04 -0.39258E+04 10976 0.248E+02
DAV: 3 -0.425657614943E+03 -0.32350E+03 -0.30282E+03 10248 0.658E+01
DAV: 4 -0.434227329882E+03 -0.85697E+01 -0.84606E+01 10904 0.108E+01
DAV: 5 -0.434518622444E+03 -0.29129E+00 -0.29049E+00 10984 0.193E+00 0.986E+01
RMM: 6 -0.377825786730E+03 0.56693E+02 -0.11477E+02 9693 0.146E+01 0.678E+01
RMM: 7 -0.533766793974E+03 -0.15594E+03 -0.18708E+02 10115 0.156E+01 0.959E+01
RMM: 8 -0.466700006263E+03 0.67067E+02 -0.88466E+01 10182 0.114E+01 0.735E+01
RMM: 9 -0.430341583720E+03 0.36358E+02 -0.41928E+01 10163 0.752E+00 0.606E+01
RMM: 10 -0.401053562300E+03 0.29288E+02 -0.45678E+01 10459 0.820E+00 0.468E+01
RMM: 11 -0.378763766947E+03 0.22290E+02 -0.79329E+00 9608 0.405E+00 0.302E+01
RMM: 12 -0.374653701208E+03 0.41101E+01 -0.56977E+00 10181 0.310E+00 0.230E+01
RMM: 13 -0.374026148194E+03 0.62755E+00 -0.27827E+00 10232 0.209E+00 0.142E+01
RMM: 14 -0.376343968896E+03 -0.23178E+01 -0.12361E+00 10228 0.134E+00 0.122E+01
RMM: 15 -0.381050823691E+03 -0.47069E+01 -0.10099E+00 10373 0.128E+00 0.114E+01
RMM: 16 -0.387084581310E+03 -0.60338E+01 -0.26325E+00 11585 0.191E+00 0.109E+01
RMM: 17 -0.392132982968E+03 -0.50484E+01 -0.17299E+00 11272 0.155E+00 0.921E+00
RMM: 18 -0.393414706685E+03 -0.12817E+01 -0.43492E-01 10281 0.837E-01 0.797E+00
RMM: 19 -0.396232578172E+03 -0.28179E+01 -0.71474E-01 11176 0.922E-01 0.678E+00
RMM: 20 -0.398358527182E+03 -0.21259E+01 -0.35238E-01 10883 0.646E-01 0.612E+00
RMM: 21 -0.398955026794E+03 -0.59650E+00 -0.55216E-02 10433 0.255E-01 0.593E+00
RMM: 22 -0.401176636492E+03 -0.22216E+01 -0.57150E-01 12523 0.767E-01 0.560E+00
RMM: 23 -0.404530981316E+03 -0.33543E+01 -0.12431E+00 13838 0.111E+00 0.521E+00
RMM: 24 -0.408312210351E+03 -0.37812E+01 -0.15244E+00 14260 0.114E+00 0.588E+00
RMM: 25 -0.410382622640E+03 -0.20704E+01 -0.79378E-01 13486 0.825E-01 0.582E+00
RMM: 26 -0.411298455069E+03 -0.91583E+00 -0.13201E-01 11256 0.362E-01 0.582E+00
RMM: 27 -0.411286173269E+03 0.12282E-01 -0.27929E-02 10251 0.196E-01 0.547E+00
RMM: 28 -0.410906233052E+03 0.37994E+00 -0.91281E-02 11474 0.358E-01 0.508E+00
RMM: 29 -0.410837250582E+03 0.68982E-01 -0.41228E-02 10645 0.259E-01 0.493E+00
RMM: 30 -0.410608150291E+03 0.22910E+00 -0.11476E-01 11989 0.430E-01 0.591E+00
RMM: 31 -0.411091389297E+03 -0.48324E+00 -0.44387E-02 10548 0.287E-01 0.518E+00
RMM: 32 -0.412116683457E+03 -0.10253E+01 -0.86660E-01 15094 0.955E-01 0.575E+00
RMM: 33 -0.412703953726E+03 -0.58727E+00 -0.35043E-01 14492 0.638E-01 0.440E+00
RMM: 34 -0.413570565107E+03 -0.86661E+00 -0.66542E-02 11580 0.299E-01 0.299E+00
RMM: 35 -0.413612181667E+03 -0.41617E-01 -0.52774E-03 10254 0.940E-02 0.281E+00
RMM: 36 -0.413775357075E+03 -0.16318E+00 -0.12358E-02 10766 0.154E-01 0.277E+00
RMM: 37 -0.414314772243E+03 -0.53942E+00 -0.54396E-02 13092 0.287E-01 0.139E+00
RMM: 38 -0.414849723190E+03 -0.53495E+00 -0.29545E-02 12245 0.204E-01 0.982E-01
RMM: 39 -0.415395528192E+03 -0.54581E+00 -0.21270E-02 11487 0.155E-01 0.741E-01
RMM: 40 -0.415639062821E+03 -0.24353E+00 -0.24509E-02 11759 0.150E-01 0.826E-01
RMM: 41 -0.415633720002E+03 0.53428E-02 -0.99440E-03 11109 0.987E-02 0.748E-01
RMM: 42 -0.415670427916E+03 -0.36708E-01 -0.55413E-03 10840 0.746E-02 0.638E-01
RMM: 43 -0.415745389369E+03 -0.74961E-01 -0.14249E-02 11984 0.102E-01 0.586E-01
RMM: 44 -0.415844228796E+03 -0.98839E-01 -0.10935E-02 11963 0.922E-02 0.476E-01
RMM: 45 -0.415999374421E+03 -0.15515E+00 -0.10201E-02 12151 0.867E-02 0.377E-01
RMM: 46 -0.416077744927E+03 -0.78371E-01 -0.35723E-03 11217 0.600E-02 0.288E-01
RMM: 47 -0.416121768196E+03 -0.44023E-01 -0.13941E-03 10800 0.362E-02 0.203E-01
RMM: 48 -0.416231287101E+03 -0.10952E+00 -0.20475E-03 11451 0.404E-02 0.207E-01
RMM: 49 -0.416284014466E+03 -0.52727E-01 -0.56891E-04 10706 0.239E-02 0.112E-01
RMM: 50 -0.416296429433E+03 -0.12415E-01 -0.27918E-04 10562 0.162E-02 0.701E-02
RMM: 51 -0.416297954432E+03 -0.15250E-02 -0.79915E-05 9362 0.107E-02 0.450E-02
RMM: 52 -0.416301103114E+03 -0.31487E-02 -0.59019E-05 8559 0.778E-03 0.433E-02
RMM: 53 -0.416304340092E+03 -0.32370E-02 -0.49024E-05 8325 0.687E-03 0.356E-02
RMM: 54 -0.416305898026E+03 -0.15579E-02 -0.21872E-05 7401 0.460E-03 0.245E-02
RMM: 55 -0.416307345710E+03 -0.14477E-02 -0.21181E-05 7278 0.402E-03 0.171E-02
RMM: 56 -0.416308114981E+03 -0.76927E-03 -0.12518E-05 6742 0.356E-03 0.122E-02
RMM: 57 -0.416308814885E+03 -0.69990E-03 -0.53042E-06 6459 0.245E-03 0.161E-02
RMM: 58 -0.416309334185E+03 -0.51930E-03 -0.33347E-06 5497 0.163E-03 0.181E-02
RMM: 59 -0.416309530894E+03 -0.19671E-03 -0.15790E-06 4157 0.121E-03 0.107E-02
RMM: 60 -0.416309690076E+03 -0.15918E-03 -0.25528E-06 5782 0.150E-03 0.980E-03
RMM: 61 -0.416309755149E+03 -0.65074E-04 -0.70237E-07 3950 0.113E-03 0.104E-02
RMM: 62 -0.416309813202E+03 -0.58053E-04 -0.28615E-07 3033 0.919E-04 0.104E-02
RMM: 63 -0.416309809729E+03 0.34730E-05 -0.16348E-07 2666 0.872E-04
1 F= -.45402764E+03 E0= -.45402712E+03 d E =-.155808E-02 mag= -0.0049