iterations/neb1_max1_image03_iter3_OSZICAR.out output for 564: 4940072_SO2_t_3990147
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.421941623806E+04 0.42194E+04 -0.25386E+05 9008 0.103E+03
DAV: 2 -0.105726614258E+03 -0.43251E+04 -0.39274E+04 11000 0.248E+02
DAV: 3 -0.426951971877E+03 -0.32123E+03 -0.30065E+03 10248 0.655E+01
DAV: 4 -0.435461644705E+03 -0.85097E+01 -0.84046E+01 10872 0.107E+01
DAV: 5 -0.435747614027E+03 -0.28597E+00 -0.28525E+00 11216 0.190E+00 0.101E+02
RMM: 6 -0.389764498409E+03 0.45983E+02 -0.10863E+02 9701 0.143E+01 0.729E+01
RMM: 7 -0.832322170917E+03 -0.44256E+03 -0.47325E+02 11460 0.197E+01 0.153E+02
RMM: 8 -0.497961680458E+03 0.33436E+03 -0.11821E+02 10007 0.114E+01 0.920E+01
RMM: 9 -0.419283002772E+03 0.78679E+02 -0.67283E+01 10160 0.106E+01 0.584E+01
RMM: 10 -0.391750110691E+03 0.27533E+02 -0.41799E+01 10348 0.850E+00 0.434E+01
RMM: 11 -0.384856718931E+03 0.68934E+01 -0.23666E+01 10300 0.571E+00 0.439E+01
RMM: 12 -0.374493978278E+03 0.10363E+02 -0.76008E+00 10004 0.367E+00 0.285E+01
RMM: 13 -0.374433955827E+03 0.60022E-01 -0.35525E+00 10166 0.253E+00 0.225E+01
RMM: 14 -0.373710414875E+03 0.72354E+00 -0.14246E+00 10141 0.159E+00 0.145E+01
RMM: 15 -0.378220530360E+03 -0.45101E+01 -0.14009E+00 10443 0.153E+00 0.129E+01
RMM: 16 -0.383596672838E+03 -0.53761E+01 -0.14485E+00 10575 0.157E+00 0.124E+01
RMM: 17 -0.389840578906E+03 -0.62439E+01 -0.25304E+00 11394 0.188E+00 0.954E+00
RMM: 18 -0.392151732010E+03 -0.23112E+01 -0.61827E-01 10322 0.982E-01 0.657E+00
RMM: 19 -0.394382638928E+03 -0.22309E+01 -0.36241E-01 10478 0.728E-01 0.654E+00
RMM: 20 -0.397069351807E+03 -0.26867E+01 -0.60817E-01 11311 0.886E-01 0.673E+00
RMM: 21 -0.400218926105E+03 -0.31496E+01 -0.92446E-01 12007 0.101E+00 0.627E+00
RMM: 22 -0.404116130958E+03 -0.38972E+01 -0.15147E+00 12593 0.118E+00 0.525E+00
RMM: 23 -0.408427902784E+03 -0.43118E+01 -0.18878E+00 13027 0.123E+00 0.618E+00
RMM: 24 -0.410297508172E+03 -0.18696E+01 -0.75260E-01 12020 0.778E-01 0.593E+00
RMM: 25 -0.410770079176E+03 -0.47257E+00 -0.59712E-02 10516 0.250E-01 0.553E+00
RMM: 26 -0.410521871529E+03 0.24821E+00 -0.24199E-02 10210 0.179E-01 0.531E+00
RMM: 27 -0.409797057169E+03 0.72481E+00 -0.11789E-01 11747 0.363E-01 0.482E+00
RMM: 28 -0.409857796959E+03 -0.60740E-01 -0.12130E-01 12315 0.436E-01 0.647E+00
RMM: 29 -0.408726868128E+03 0.11309E+01 -0.88937E-02 11621 0.387E-01 0.717E+00
RMM: 30 -0.410433890336E+03 -0.17070E+01 -0.41083E-01 13696 0.747E-01 0.730E+00
RMM: 31 -0.412111770173E+03 -0.16779E+01 -0.87570E-01 15075 0.914E-01 0.711E+00
RMM: 32 -0.414147004777E+03 -0.20352E+01 -0.62880E-01 14978 0.751E-01 0.464E+00
RMM: 33 -0.415323029194E+03 -0.11760E+01 -0.19608E-01 13082 0.466E-01 0.357E+00
RMM: 34 -0.415509092098E+03 -0.18606E+00 -0.11985E-02 10418 0.149E-01 0.329E+00
RMM: 35 -0.415860960684E+03 -0.35187E+00 -0.29619E-02 11269 0.221E-01 0.309E+00
RMM: 36 -0.416299522123E+03 -0.43856E+00 -0.55145E-02 12170 0.281E-01 0.246E+00
RMM: 37 -0.416546472654E+03 -0.24695E+00 -0.25089E-02 11162 0.199E-01 0.186E+00
RMM: 38 -0.416736613599E+03 -0.19014E+00 -0.14566E-02 10610 0.148E-01 0.173E+00
RMM: 39 -0.416829155254E+03 -0.92542E-01 -0.14517E-02 10976 0.137E-01 0.161E+00
RMM: 40 -0.416865567153E+03 -0.36412E-01 -0.73039E-03 10622 0.937E-02 0.145E+00
RMM: 41 -0.416949475914E+03 -0.83909E-01 -0.76485E-03 11050 0.907E-02 0.116E+00
RMM: 42 -0.417092942424E+03 -0.14347E+00 -0.10307E-02 11705 0.101E-01 0.924E-01
RMM: 43 -0.417225174539E+03 -0.13223E+00 -0.74483E-03 11359 0.876E-02 0.709E-01
RMM: 44 -0.417302028157E+03 -0.76854E-01 -0.25874E-03 10611 0.558E-02 0.640E-01
RMM: 45 -0.417310341483E+03 -0.83133E-02 -0.71767E-03 12154 0.827E-02 0.566E-01
RMM: 46 -0.417332282236E+03 -0.21941E-01 -0.74254E-03 12109 0.870E-02 0.477E-01
RMM: 47 -0.417428126337E+03 -0.95844E-01 -0.60311E-03 11658 0.775E-02 0.308E-01
RMM: 48 -0.417513022633E+03 -0.84896E-01 -0.43600E-03 11349 0.637E-02 0.271E-01
RMM: 49 -0.417580206927E+03 -0.67184E-01 -0.45479E-03 11613 0.573E-02 0.217E-01
RMM: 50 -0.417621487749E+03 -0.41281E-01 -0.22171E-03 11261 0.411E-02 0.180E-01
RMM: 51 -0.417631840186E+03 -0.10352E-01 -0.90661E-04 10738 0.298E-02 0.113E-01
RMM: 52 -0.417670835829E+03 -0.38996E-01 -0.80282E-04 11156 0.262E-02 0.122E-01
RMM: 53 -0.417716085160E+03 -0.45249E-01 -0.67247E-04 11240 0.226E-02 0.114E-01
RMM: 54 -0.417749351959E+03 -0.33267E-01 -0.32030E-04 10859 0.177E-02 0.104E-01
RMM: 55 -0.417770611961E+03 -0.21260E-01 -0.20759E-04 10622 0.134E-02 0.709E-02
RMM: 56 -0.417773037571E+03 -0.24256E-02 -0.10888E-04 10367 0.119E-02 0.518E-02
RMM: 57 -0.417782773337E+03 -0.97358E-02 -0.12869E-04 9686 0.981E-03 0.328E-02
RMM: 58 -0.417786314200E+03 -0.35409E-02 -0.71559E-05 8935 0.732E-03 0.346E-02
RMM: 59 -0.417787339227E+03 -0.10250E-02 -0.26330E-05 7550 0.456E-03 0.185E-02
RMM: 60 -0.417788008501E+03 -0.66927E-03 -0.19222E-05 7225 0.372E-03 0.119E-02
RMM: 61 -0.417788610056E+03 -0.60156E-03 -0.16579E-05 7028 0.323E-03 0.135E-02
RMM: 62 -0.417788925092E+03 -0.31504E-03 -0.71210E-06 6285 0.225E-03 0.594E-03
RMM: 63 -0.417789139021E+03 -0.21393E-03 -0.34976E-06 4882 0.157E-03 0.557E-03
RMM: 64 -0.417789313176E+03 -0.17416E-03 -0.26266E-06 4268 0.134E-03 0.292E-03
RMM: 65 -0.417789419652E+03 -0.10648E-03 -0.18088E-06 4210 0.124E-03 0.598E-03
RMM: 66 -0.417789496386E+03 -0.76734E-04 -0.11676E-06 3626 0.108E-03 0.430E-03
RMM: 67 -0.417789514910E+03 -0.18524E-04 -0.55572E-07 3142 0.964E-04 0.226E-03
RMM: 68 -0.417789549869E+03 -0.34959E-04 -0.55721E-07 3355 0.953E-04 0.155E-03
RMM: 69 -0.417789558816E+03 -0.89472E-05 -0.19872E-07 2706 0.860E-04
1 F= -.45543924E+03 E0= -.45543973E+03 d E =0.145130E-02 mag= -0.0007