iterations/neb0_image08_iter13_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 0.210112594248E+04 0.21011E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139609844389E+03 -0.22407E+04 -0.21513E+04 2160 0.262E+02
DAV: 3 -0.465668089371E+03 -0.32606E+03 -0.32261E+03 1856 0.108E+02
DAV: 4 -0.478237345971E+03 -0.12569E+02 -0.12519E+02 1944 0.226E+01
DAV: 5 -0.478725219652E+03 -0.48787E+00 -0.48765E+00 2176 0.387E+00 0.426E+01
DAV: 6 -0.447723824056E+03 0.31001E+02 -0.14499E+02 2016 0.313E+01 0.269E+01
DAV: 7 -0.447132995982E+03 0.59083E+00 -0.27650E+01 1928 0.115E+01 0.134E+01
DAV: 8 -0.447297823985E+03 -0.16483E+00 -0.75132E+00 2456 0.840E+00 0.982E+00
DAV: 9 -0.445424555522E+03 0.18733E+01 -0.19739E+00 2104 0.451E+00 0.351E+00
DAV: 10 -0.445590367386E+03 -0.16581E+00 -0.25860E+00 1952 0.308E+00 0.590E+00
DAV: 11 -0.445586643026E+03 0.37244E-02 -0.53437E+00 2320 0.239E+00 0.449E+00
DAV: 12 -0.445508167503E+03 0.78476E-01 -0.32579E+00 2464 0.163E+00 0.439E+00
DAV: 13 -0.445420362936E+03 0.87805E-01 -0.14576E+00 2352 0.118E+00 0.172E+00
DAV: 14 -0.445437927533E+03 -0.17565E-01 -0.44360E-02 1872 0.443E-01 0.178E+00
DAV: 15 -0.445416488023E+03 0.21440E-01 -0.37367E-02 2272 0.422E-01 0.361E-01
DAV: 16 -0.445422978390E+03 -0.64904E-02 -0.89040E-03 1904 0.194E-01 0.365E-01
DAV: 17 -0.445424070993E+03 -0.10926E-02 -0.72905E-04 2144 0.920E-02 0.275E-01
DAV: 18 -0.445426158847E+03 -0.20879E-02 -0.32158E-03 2240 0.127E-01 0.307E-01
DAV: 19 -0.445427745184E+03 -0.15863E-02 -0.69101E-04 1784 0.605E-02 0.141E-01
DAV: 20 -0.445429697829E+03 -0.19526E-02 -0.62119E-04 1904 0.469E-02 0.561E-02
DAV: 21 -0.445431012170E+03 -0.13143E-02 -0.20669E-04 1848 0.344E-02 0.569E-02
DAV: 22 -0.445431588472E+03 -0.57630E-03 -0.11793E-04 1776 0.258E-02 0.276E-02
DAV: 23 -0.445431802673E+03 -0.21420E-03 -0.39657E-05 1408 0.149E-02 0.346E-02
DAV: 24 -0.445431878219E+03 -0.75546E-04 -0.34458E-05 1240 0.149E-02 0.214E-02
DAV: 25 -0.445431932794E+03 -0.54575E-04 -0.58699E-06 1024 0.604E-03 0.147E-02
DAV: 26 -0.445431955342E+03 -0.22548E-04 -0.44404E-06 952 0.648E-03 0.279E-03
DAV: 27 -0.445431973206E+03 -0.17865E-04 -0.37170E-06 944 0.516E-03 0.149E-02
DAV: 28 -0.445431998258E+03 -0.25052E-04 -0.16608E-06 1016 0.338E-03 0.777E-03
DAV: 29 -0.445432012054E+03 -0.13796E-04 -0.17527E-06 952 0.311E-03 0.317E-03
DAV: 30 -0.445432017340E+03 -0.52856E-05 -0.49264E-07 944 0.167E-03
1 F= -.44543202E+03 E0= -.44540999E+03 d E =-.660970E-01