iterations/neb3_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 0.422509261553E+04 0.42251E+04 -0.25389E+05 9008 0.103E+03
DAV: 2 -0.104018357872E+03 -0.43291E+04 -0.39306E+04 11000 0.248E+02
DAV: 3 -0.425990792343E+03 -0.32197E+03 -0.30143E+03 10312 0.656E+01
DAV: 4 -0.434448811601E+03 -0.84580E+01 -0.83544E+01 10888 0.107E+01
DAV: 5 -0.434734643743E+03 -0.28583E+00 -0.28503E+00 11200 0.190E+00 0.102E+02
RMM: 6 -0.379392339969E+03 0.55342E+02 -0.10956E+02 9706 0.143E+01 0.695E+01
RMM: 7 -0.619385126473E+03 -0.23999E+03 -0.26015E+02 10515 0.171E+01 0.116E+02
RMM: 8 -0.522093245820E+03 0.97292E+02 -0.11567E+02 10299 0.115E+01 0.916E+01
RMM: 9 -0.390705302803E+03 0.13139E+03 -0.54283E+01 10170 0.923E+00 0.417E+01
RMM: 10 -0.388799050608E+03 0.19063E+01 -0.27290E+01 10109 0.677E+00 0.395E+01
RMM: 11 -0.377057763766E+03 0.11741E+02 -0.10145E+01 9938 0.422E+00 0.173E+01
RMM: 12 -0.379413566341E+03 -0.23558E+01 -0.24038E+00 10081 0.197E+00 0.172E+01
RMM: 13 -0.378910942403E+03 0.50262E+00 -0.13598E+00 10266 0.150E+00 0.118E+01
RMM: 14 -0.381676491977E+03 -0.27655E+01 -0.79687E-01 10329 0.112E+00 0.102E+01
RMM: 15 -0.385732200023E+03 -0.40557E+01 -0.57149E-01 10370 0.994E-01 0.107E+01
RMM: 16 -0.388006730041E+03 -0.22745E+01 -0.71634E-01 10777 0.107E+00 0.916E+00
RMM: 17 -0.392585008891E+03 -0.45783E+01 -0.15072E+00 11688 0.135E+00 0.681E+00
RMM: 18 -0.396303033942E+03 -0.37180E+01 -0.95640E-01 11482 0.110E+00 0.623E+00
RMM: 19 -0.400367460756E+03 -0.40644E+01 -0.12995E+00 11899 0.117E+00 0.619E+00
RMM: 20 -0.402112657956E+03 -0.17452E+01 -0.46704E-01 11082 0.721E-01 0.565E+00
RMM: 21 -0.405958746812E+03 -0.38461E+01 -0.15548E+00 12453 0.115E+00 0.530E+00
RMM: 22 -0.409211340580E+03 -0.32526E+01 -0.11339E+00 12306 0.947E-01 0.548E+00
RMM: 23 -0.410262002835E+03 -0.10507E+01 -0.16974E-01 10915 0.391E-01 0.556E+00
RMM: 24 -0.409678999126E+03 0.58300E+00 -0.84719E-02 10434 0.317E-01 0.552E+00
RMM: 25 -0.408621760279E+03 0.10572E+01 -0.26172E-01 11953 0.566E-01 0.493E+00
RMM: 26 -0.408743316325E+03 -0.12156E+00 -0.19668E-01 11540 0.557E-01 0.570E+00
RMM: 27 -0.408188301203E+03 0.55502E+00 -0.73662E-02 10467 0.340E-01 0.663E+00
RMM: 28 -0.410783556570E+03 -0.25953E+01 -0.15962E+00 14597 0.129E+00 0.608E+00
RMM: 29 -0.412287176686E+03 -0.15036E+01 -0.28245E-01 12614 0.529E-01 0.683E+00
RMM: 30 -0.413373207865E+03 -0.10860E+01 -0.38508E-01 13003 0.623E-01 0.571E+00
RMM: 31 -0.414449613931E+03 -0.10764E+01 -0.29835E-01 12590 0.564E-01 0.343E+00
RMM: 32 -0.414630609154E+03 -0.18100E+00 -0.37976E-02 10593 0.222E-01 0.286E+00
RMM: 33 -0.414764401895E+03 -0.13379E+00 -0.13322E-02 10326 0.140E-01 0.269E+00
RMM: 34 -0.415235724601E+03 -0.47132E+00 -0.23170E-02 11131 0.203E-01 0.217E+00
RMM: 35 -0.415643264602E+03 -0.40754E+00 -0.32190E-02 11504 0.218E-01 0.154E+00
RMM: 36 -0.415947769312E+03 -0.30450E+00 -0.20225E-02 11018 0.165E-01 0.120E+00
RMM: 37 -0.416231328756E+03 -0.28356E+00 -0.16869E-02 11075 0.137E-01 0.104E+00
RMM: 38 -0.416365541958E+03 -0.13421E+00 -0.11202E-02 10960 0.112E-01 0.887E-01
RMM: 39 -0.416485712909E+03 -0.12017E+00 -0.10687E-02 11339 0.104E-01 0.880E-01
RMM: 40 -0.416553590655E+03 -0.67878E-01 -0.15052E-02 11903 0.115E-01 0.664E-01
RMM: 41 -0.416623605502E+03 -0.70015E-01 -0.11380E-02 11588 0.998E-02 0.529E-01
RMM: 42 -0.416742089773E+03 -0.11848E+00 -0.11440E-02 11747 0.956E-02 0.446E-01
RMM: 43 -0.416823379604E+03 -0.81290E-01 -0.46473E-03 11124 0.658E-02 0.352E-01
RMM: 44 -0.416891040402E+03 -0.67661E-01 -0.41615E-03 11350 0.583E-02 0.278E-01
RMM: 45 -0.416943164617E+03 -0.52124E-01 -0.22179E-03 11020 0.434E-02 0.255E-01
RMM: 46 -0.416998913017E+03 -0.55748E-01 -0.22319E-03 11357 0.405E-02 0.133E-01
RMM: 47 -0.417049778816E+03 -0.50866E-01 -0.12318E-03 11077 0.291E-02 0.213E-01
RMM: 48 -0.417085311140E+03 -0.35532E-01 -0.53015E-04 10805 0.200E-02 0.162E-01
RMM: 49 -0.417116587247E+03 -0.31276E-01 -0.48791E-04 11248 0.190E-02 0.680E-02
RMM: 50 -0.417127515039E+03 -0.10928E-01 -0.18246E-04 9961 0.133E-02 0.536E-02
RMM: 51 -0.417130866052E+03 -0.33510E-02 -0.57888E-05 8566 0.808E-03 0.519E-02
RMM: 52 -0.417135442321E+03 -0.45763E-02 -0.64592E-05 8663 0.783E-03 0.372E-02
RMM: 53 -0.417137131321E+03 -0.16890E-02 -0.26791E-05 7669 0.514E-03 0.245E-02
RMM: 54 -0.417138289902E+03 -0.11586E-02 -0.18053E-05 7113 0.381E-03 0.220E-02
RMM: 55 -0.417139432735E+03 -0.11428E-02 -0.18172E-05 7157 0.342E-03 0.159E-02
RMM: 56 -0.417140119873E+03 -0.68714E-03 -0.12084E-05 6794 0.273E-03 0.114E-02
RMM: 57 -0.417140388224E+03 -0.26835E-03 -0.56771E-06 6235 0.197E-03 0.663E-03
RMM: 58 -0.417140488161E+03 -0.99938E-04 -0.22103E-06 4313 0.127E-03 0.462E-03
RMM: 59 -0.417140542734E+03 -0.54573E-04 -0.12624E-06 3785 0.113E-03 0.408E-03
RMM: 60 -0.417140600234E+03 -0.57500E-04 -0.19326E-06 4701 0.128E-03 0.285E-03
RMM: 61 -0.417140625286E+03 -0.25052E-04 -0.85684E-07 3471 0.983E-04 0.231E-03
RMM: 62 -0.417140655520E+03 -0.30234E-04 -0.36243E-07 2988 0.865E-04 0.167E-03
RMM: 63 -0.417140696025E+03 -0.40506E-04 -0.27944E-07 2890 0.828E-04 0.178E-03
RMM: 64 -0.417140737561E+03 -0.41535E-04 -0.39354E-07 3155 0.863E-04 0.153E-03
RMM: 65 -0.417140766454E+03 -0.28893E-04 -0.23716E-07 2859 0.838E-04 0.926E-04
RMM: 66 -0.417140788758E+03 -0.22305E-04 -0.19197E-07 2659 0.809E-04 0.544E-04
RMM: 67 -0.417140809801E+03 -0.21043E-04 -0.10037E-07 2434 0.775E-04 0.591E-04
RMM: 68 -0.417140829183E+03 -0.19381E-04 -0.13617E-07 2502 0.793E-04 0.561E-04
RMM: 69 -0.417140838621E+03 -0.94383E-05 -0.10363E-07 2455 0.790E-04
1 F= -.45481557E+03 E0= -.45481641E+03 d E =0.253674E-02 mag= -0.0006