iterations/neb3_max1_image03_iter27_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421803433476E+04 0.42180E+04 -0.25383E+05 9008 0.103E+03
DAV: 2 -0.105535992798E+03 -0.43236E+04 -0.39288E+04 11024 0.248E+02
DAV: 3 -0.426974588035E+03 -0.32144E+03 -0.30077E+03 10240 0.655E+01
DAV: 4 -0.435503397714E+03 -0.85288E+01 -0.84283E+01 10784 0.107E+01
DAV: 5 -0.435789908552E+03 -0.28651E+00 -0.28588E+00 11256 0.191E+00 0.100E+02
RMM: 6 -0.387936884521E+03 0.47853E+02 -0.10820E+02 9696 0.143E+01 0.722E+01
RMM: 7 -0.773757609066E+03 -0.38582E+03 -0.41721E+02 11263 0.189E+01 0.145E+02
RMM: 8 -0.497419250940E+03 0.27634E+03 -0.11546E+02 10075 0.113E+01 0.912E+01
RMM: 9 -0.405711856461E+03 0.91707E+02 -0.68673E+01 10179 0.107E+01 0.534E+01
RMM: 10 -0.397656231131E+03 0.80556E+01 -0.43416E+01 10320 0.857E+00 0.458E+01
RMM: 11 -0.390060550280E+03 0.75957E+01 -0.24396E+01 10270 0.599E+00 0.460E+01
RMM: 12 -0.375248536825E+03 0.14812E+02 -0.77015E+00 9948 0.373E+00 0.278E+01
RMM: 13 -0.375289497328E+03 -0.40961E-01 -0.31488E+00 10146 0.239E+00 0.235E+01
RMM: 14 -0.374387318084E+03 0.90218E+00 -0.12921E+00 10116 0.152E+00 0.153E+01
RMM: 15 -0.377748418500E+03 -0.33611E+01 -0.13126E+00 10466 0.149E+00 0.125E+01
RMM: 16 -0.383427361587E+03 -0.56789E+01 -0.13683E+00 10629 0.153E+00 0.143E+01
RMM: 17 -0.387115562357E+03 -0.36882E+01 -0.15219E+00 10886 0.150E+00 0.977E+00
RMM: 18 -0.390371308373E+03 -0.32557E+01 -0.69138E-01 10420 0.102E+00 0.692E+00
RMM: 19 -0.394212587810E+03 -0.38413E+01 -0.74991E-01 10942 0.101E+00 0.667E+00
RMM: 20 -0.397535890119E+03 -0.33233E+01 -0.98973E-01 11508 0.112E+00 0.728E+00
RMM: 21 -0.400278846725E+03 -0.27430E+01 -0.97077E-01 11714 0.103E+00 0.687E+00
RMM: 22 -0.402940246610E+03 -0.26614E+01 -0.79212E-01 11731 0.893E-01 0.606E+00
RMM: 23 -0.407377082633E+03 -0.44368E+01 -0.19381E+00 12851 0.124E+00 0.652E+00
RMM: 24 -0.409385819780E+03 -0.20087E+01 -0.64964E-01 11851 0.730E-01 0.691E+00
RMM: 25 -0.409599400183E+03 -0.21358E+00 -0.79857E-02 10617 0.277E-01 0.641E+00
RMM: 26 -0.409912005043E+03 -0.31260E+00 -0.24412E-02 10700 0.139E-01 0.631E+00
RMM: 27 -0.409863906032E+03 0.48099E-01 -0.39170E-03 10365 0.686E-02 0.613E+00
RMM: 28 -0.409711965844E+03 0.15194E+00 -0.14840E-02 10969 0.132E-01 0.645E+00
RMM: 29 -0.409008065980E+03 0.70390E+00 -0.13462E-01 15023 0.428E-01 0.587E+00
RMM: 30 -0.408965823211E+03 0.42243E-01 -0.23846E-01 16168 0.585E-01 0.596E+00
RMM: 31 -0.409815739690E+03 -0.84992E+00 -0.93104E-03 10943 0.133E-01 0.581E+00
RMM: 32 -0.412517205348E+03 -0.27015E+01 -0.11318E+00 17494 0.109E+00 0.644E+00
RMM: 33 -0.414417028321E+03 -0.18998E+01 -0.58846E-01 17091 0.739E-01 0.501E+00
RMM: 34 -0.415275713607E+03 -0.85869E+00 -0.24957E-01 16069 0.518E-01 0.433E+00
RMM: 35 -0.415370151930E+03 -0.94438E-01 -0.18238E-02 12113 0.177E-01 0.361E+00
RMM: 36 -0.415810407588E+03 -0.44026E+00 -0.52346E-02 14349 0.288E-01 0.324E+00
RMM: 37 -0.416115747331E+03 -0.30534E+00 -0.56435E-02 14463 0.280E-01 0.268E+00
RMM: 38 -0.416270155848E+03 -0.15441E+00 -0.42648E-02 13742 0.243E-01 0.261E+00
RMM: 39 -0.416399682574E+03 -0.12953E+00 -0.19786E-02 12304 0.165E-01 0.237E+00
RMM: 40 -0.416612686524E+03 -0.21300E+00 -0.10111E-02 11289 0.119E-01 0.188E+00
RMM: 41 -0.416767661680E+03 -0.15498E+00 -0.90952E-03 11293 0.105E-01 0.158E+00
RMM: 42 -0.416881168438E+03 -0.11351E+00 -0.73309E-03 11337 0.914E-02 0.138E+00
RMM: 43 -0.416993788825E+03 -0.11262E+00 -0.63962E-03 11355 0.853E-02 0.114E+00
RMM: 44 -0.417159621778E+03 -0.16583E+00 -0.12419E-02 12371 0.111E-01 0.777E-01
RMM: 45 -0.417278318515E+03 -0.11870E+00 -0.72205E-03 11691 0.858E-02 0.555E-01
RMM: 46 -0.417323397187E+03 -0.45079E-01 -0.54521E-03 11343 0.746E-02 0.451E-01
RMM: 47 -0.417329648692E+03 -0.62515E-02 -0.43437E-03 11165 0.678E-02 0.443E-01
RMM: 48 -0.417411128639E+03 -0.81480E-01 -0.69396E-03 11930 0.765E-02 0.359E-01
RMM: 49 -0.417498991545E+03 -0.87863E-01 -0.49842E-03 11601 0.670E-02 0.268E-01
RMM: 50 -0.417563795451E+03 -0.64804E-01 -0.44288E-03 11547 0.569E-02 0.311E-01
RMM: 51 -0.417576207336E+03 -0.12412E-01 -0.25957E-03 11302 0.518E-02 0.206E-01
RMM: 52 -0.417617543307E+03 -0.41336E-01 -0.17407E-03 11092 0.371E-02 0.121E-01
RMM: 53 -0.417633668339E+03 -0.16125E-01 -0.43368E-04 10527 0.202E-02 0.106E-01
RMM: 54 -0.417654442154E+03 -0.20774E-01 -0.28370E-04 10605 0.160E-02 0.105E-01
RMM: 55 -0.417708419827E+03 -0.53978E-01 -0.68757E-04 11772 0.220E-02 0.114E-01
RMM: 56 -0.417716544798E+03 -0.81250E-02 -0.14151E-04 10446 0.147E-02 0.883E-02
RMM: 57 -0.417736681525E+03 -0.20137E-01 -0.15299E-04 10803 0.125E-02 0.522E-02
RMM: 58 -0.417755176022E+03 -0.18494E-01 -0.20873E-04 10755 0.123E-02 0.361E-02
RMM: 59 -0.417758656116E+03 -0.34801E-02 -0.57405E-05 8844 0.730E-03 0.277E-02
RMM: 60 -0.417760096076E+03 -0.14400E-02 -0.35718E-05 7861 0.550E-03 0.195E-02
RMM: 61 -0.417760851570E+03 -0.75549E-03 -0.22157E-05 7297 0.412E-03 0.148E-02
RMM: 62 -0.417761622864E+03 -0.77129E-03 -0.14666E-05 6921 0.323E-03 0.115E-02
RMM: 63 -0.417762240535E+03 -0.61767E-03 -0.81235E-06 6624 0.246E-03 0.716E-03
RMM: 64 -0.417762506545E+03 -0.26601E-03 -0.32987E-06 5042 0.158E-03 0.587E-03
RMM: 65 -0.417762677022E+03 -0.17048E-03 -0.22998E-06 4213 0.130E-03 0.567E-03
RMM: 66 -0.417762760630E+03 -0.83608E-04 -0.11659E-06 3769 0.115E-03 0.536E-03
RMM: 67 -0.417762795022E+03 -0.34392E-04 -0.85899E-07 3641 0.107E-03 0.357E-03
RMM: 68 -0.417762831867E+03 -0.36844E-04 -0.37292E-07 2981 0.921E-04 0.250E-03
RMM: 69 -0.417762874780E+03 -0.42913E-04 -0.40703E-07 3132 0.931E-04 0.172E-03
RMM: 70 -0.417762891656E+03 -0.16876E-04 -0.35246E-07 3015 0.909E-04 0.900E-04
RMM: 71 -0.417762897189E+03 -0.55334E-05 -0.23552E-07 2743 0.882E-04
1 F= -.45541100E+03 E0= -.45541158E+03 d E =0.175853E-02 mag= 0.0002