iterations/neb0_image02_iter21_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.208999861236E+04 0.20900E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.142169062198E+03 -0.22322E+04 -0.21450E+04 2152 0.261E+02
DAV: 3 -0.462422948936E+03 -0.32025E+03 -0.31584E+03 1896 0.107E+02
DAV: 4 -0.476027498398E+03 -0.13605E+02 -0.13484E+02 1952 0.229E+01
DAV: 5 -0.476521417782E+03 -0.49392E+00 -0.49357E+00 2128 0.386E+00 0.434E+01
DAV: 6 -0.455676604876E+03 0.20845E+02 -0.17199E+02 2040 0.318E+01 0.408E+01
DAV: 7 -0.452803808428E+03 0.28728E+01 -0.42305E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445822530938E+03 0.69813E+01 -0.97900E+00 1816 0.813E+00 0.132E+01
DAV: 9 -0.448323624960E+03 -0.25011E+01 -0.40437E+01 2088 0.105E+01 0.207E+01
DAV: 10 -0.445895476224E+03 0.24281E+01 -0.23125E+01 1880 0.382E+00 0.102E+01
DAV: 11 -0.445752444395E+03 0.14303E+00 -0.27065E-01 1928 0.972E-01 0.973E+00
DAV: 12 -0.445525274019E+03 0.22717E+00 -0.15605E-01 1920 0.106E+00 0.852E+00
DAV: 13 -0.445599846126E+03 -0.74572E-01 -0.13389E+00 1944 0.330E+00 0.867E+00
DAV: 14 -0.445075495323E+03 0.52435E+00 -0.45547E-01 1952 0.166E+00 0.531E+00
DAV: 15 -0.444797609920E+03 0.27789E+00 -0.18888E-01 2008 0.107E+00 0.414E+00
DAV: 16 -0.444659982570E+03 0.13763E+00 -0.57735E-02 1872 0.594E-01 0.378E+00
DAV: 17 -0.444473244174E+03 0.18674E+00 -0.22324E-02 2368 0.580E-01 0.296E+00
DAV: 18 -0.444368413705E+03 0.10483E+00 -0.13806E+00 2128 0.138E+00 0.524E+00
DAV: 19 -0.444247385459E+03 0.12103E+00 -0.13140E-01 1824 0.607E-01 0.126E+00
DAV: 20 -0.444312143645E+03 -0.64758E-01 -0.68863E-02 1888 0.303E-01 0.149E+00
DAV: 21 -0.444286786425E+03 0.25357E-01 -0.19206E-01 2000 0.551E-01 0.398E-01
DAV: 22 -0.444293133446E+03 -0.63470E-02 -0.14238E-02 1808 0.232E-01 0.319E-01
DAV: 23 -0.444294880151E+03 -0.17467E-02 -0.21204E-03 1920 0.112E-01 0.734E-01
DAV: 24 -0.444291675588E+03 0.32046E-02 -0.80890E-04 1952 0.833E-02 0.370E-01
DAV: 25 -0.444293706642E+03 -0.20311E-02 -0.69662E-04 1856 0.607E-02 0.170E-01
DAV: 26 -0.444295121915E+03 -0.14153E-02 -0.24615E-04 2032 0.468E-02 0.181E-01
DAV: 27 -0.444296358075E+03 -0.12362E-02 -0.43767E-04 1896 0.563E-02 0.355E-02
DAV: 28 -0.444296828291E+03 -0.47022E-03 -0.29873E-04 1864 0.403E-02 0.102E-01
DAV: 29 -0.444296925021E+03 -0.96730E-04 -0.81907E-05 1944 0.234E-02 0.185E-01
DAV: 30 -0.444296890404E+03 0.34617E-04 -0.52153E-05 1648 0.188E-02 0.123E-01
DAV: 31 -0.444297016440E+03 -0.12604E-03 -0.41697E-05 1584 0.160E-02 0.626E-02
DAV: 32 -0.444297123881E+03 -0.10744E-03 -0.65907E-06 1168 0.819E-03 0.326E-02
DAV: 33 -0.444297202408E+03 -0.78527E-04 -0.83956E-06 1224 0.721E-03 0.774E-03
DAV: 34 -0.444297227895E+03 -0.25487E-04 -0.22540E-06 936 0.382E-03 0.117E-02
DAV: 35 -0.444297238249E+03 -0.10354E-04 -0.13137E-06 968 0.272E-03 0.757E-03
DAV: 36 -0.444297250263E+03 -0.12013E-04 -0.13024E-06 944 0.338E-03 0.115E-02
DAV: 37 -0.444297251733E+03 -0.14707E-05 -0.56319E-07 912 0.184E-03
1 F= -.44429725E+03 E0= -.44429036E+03 d E =-.206823E-01