iterations/neb0_image03_iter44_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 0.209949027396E+04 0.20995E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139096949068E+03 -0.22386E+04 -0.21487E+04 2160 0.262E+02
DAV: 3 -0.463963026503E+03 -0.32487E+03 -0.31910E+03 1920 0.108E+02
DAV: 4 -0.476823196500E+03 -0.12860E+02 -0.12815E+02 1952 0.227E+01
DAV: 5 -0.477279962583E+03 -0.45677E+00 -0.45650E+00 2120 0.378E+00 0.433E+01
DAV: 6 -0.453167799232E+03 0.24112E+02 -0.14719E+02 2024 0.318E+01 0.425E+01
DAV: 7 -0.453804037244E+03 -0.63624E+00 -0.83515E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447393175529E+03 0.64109E+01 -0.98922E+00 1880 0.839E+00 0.137E+01
DAV: 9 -0.446942655023E+03 0.45052E+00 -0.20550E+01 2008 0.111E+01 0.119E+01
DAV: 10 -0.446141513963E+03 0.80114E+00 -0.40040E+00 1816 0.350E+00 0.107E+01
DAV: 11 -0.445572458890E+03 0.56906E+00 -0.37999E-01 1936 0.187E+00 0.954E+00
DAV: 12 -0.444534467613E+03 0.10380E+01 -0.31156E+00 2056 0.433E+00 0.112E+01
DAV: 13 -0.444598514052E+03 -0.64046E-01 -0.13625E+01 2008 0.367E+00 0.592E+00
DAV: 14 -0.444186662441E+03 0.41185E+00 -0.28647E-01 1832 0.134E+00 0.341E+00
DAV: 15 -0.444186893963E+03 -0.23152E-03 -0.15893E+00 1968 0.108E+00 0.544E+00
DAV: 16 -0.444138446046E+03 0.48448E-01 -0.85797E-01 2016 0.808E-01 0.170E+00
DAV: 17 -0.444150564285E+03 -0.12118E-01 -0.19724E-02 1832 0.383E-01 0.479E-01
DAV: 18 -0.444164034649E+03 -0.13470E-01 -0.97817E-03 1968 0.246E-01 0.171E+00
DAV: 19 -0.444147877466E+03 0.16157E-01 -0.69882E-03 1976 0.234E-01 0.403E-01
DAV: 20 -0.444157909546E+03 -0.10032E-01 -0.19179E-03 1840 0.111E-01 0.299E-01
DAV: 21 -0.444158180228E+03 -0.27068E-03 -0.47629E-04 2120 0.575E-02 0.994E-02
DAV: 22 -0.444159599893E+03 -0.14197E-02 -0.16022E-04 1928 0.307E-02 0.652E-02
DAV: 23 -0.444160778300E+03 -0.11784E-02 -0.19273E-04 1976 0.403E-02 0.908E-02
DAV: 24 -0.444161662233E+03 -0.88393E-03 -0.15237E-04 1816 0.269E-02 0.768E-02
DAV: 25 -0.444161901022E+03 -0.23879E-03 -0.37579E-05 1680 0.194E-02 0.632E-02
DAV: 26 -0.444162092899E+03 -0.19188E-03 -0.67699E-05 1784 0.204E-02 0.257E-02
DAV: 27 -0.444162200342E+03 -0.10744E-03 -0.97268E-06 1296 0.105E-02 0.458E-02
DAV: 28 -0.444162236231E+03 -0.35889E-04 -0.15087E-05 1248 0.106E-02 0.627E-03
DAV: 29 -0.444162269811E+03 -0.33581E-04 -0.43247E-06 952 0.513E-03 0.109E-02
DAV: 30 -0.444162288327E+03 -0.18516E-04 -0.22913E-06 944 0.479E-03 0.145E-02
DAV: 31 -0.444162302275E+03 -0.13948E-04 -0.76672E-07 960 0.231E-03 0.833E-03
DAV: 32 -0.444162314460E+03 -0.12186E-04 -0.11738E-06 968 0.321E-03 0.383E-03
DAV: 33 -0.444162321728E+03 -0.72677E-05 -0.32620E-07 944 0.160E-03
1 F= -.44416232E+03 E0= -.44415075E+03 d E =-.347232E-01