iterations/neb0_image09_iter6_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 0.210015527552E+04 0.21002E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.141780728642E+03 -0.22419E+04 -0.21522E+04 2152 0.262E+02
DAV: 3 -0.466188444445E+03 -0.32441E+03 -0.32099E+03 1848 0.108E+02
DAV: 4 -0.478974159788E+03 -0.12786E+02 -0.12737E+02 1976 0.227E+01
DAV: 5 -0.479428112437E+03 -0.45395E+00 -0.45371E+00 2144 0.375E+00 0.429E+01
DAV: 6 -0.447241321326E+03 0.32187E+02 -0.14355E+02 2008 0.309E+01 0.271E+01
DAV: 7 -0.448550447032E+03 -0.13091E+01 -0.66178E+01 1888 0.111E+01 0.136E+01
DAV: 8 -0.446428936787E+03 0.21215E+01 -0.75694E+00 2504 0.800E+00 0.993E+00
DAV: 9 -0.446739221446E+03 -0.31028E+00 -0.21000E+01 2000 0.463E+00 0.553E+00
DAV: 10 -0.445771455622E+03 0.96777E+00 -0.90669E-01 2176 0.411E+00 0.269E+00
DAV: 11 -0.445799773050E+03 -0.28317E-01 -0.12867E+00 1896 0.158E+00 0.264E+00
DAV: 12 -0.445797926770E+03 0.18463E-02 -0.12327E+00 1944 0.984E-01 0.284E+00
DAV: 13 -0.445828039374E+03 -0.30113E-01 -0.14468E+00 2256 0.895E-01 0.343E+00
DAV: 14 -0.445749033137E+03 0.79006E-01 -0.36687E-01 2064 0.644E-01 0.378E-01
DAV: 15 -0.445759568033E+03 -0.10535E-01 -0.32183E-02 1968 0.339E-01 0.749E-01
DAV: 16 -0.445758739040E+03 0.82899E-03 -0.50495E-03 1792 0.156E-01 0.378E-01
DAV: 17 -0.445760266413E+03 -0.15274E-02 -0.12543E-03 2008 0.818E-02 0.342E-01
DAV: 18 -0.445762966555E+03 -0.27001E-02 -0.58001E-03 2080 0.961E-02 0.312E-01
DAV: 19 -0.445764398413E+03 -0.14319E-02 -0.15346E-03 1896 0.778E-02 0.629E-02
DAV: 20 -0.445766505645E+03 -0.21072E-02 -0.73763E-04 2016 0.653E-02 0.534E-02
DAV: 21 -0.445767651973E+03 -0.11463E-02 -0.29466E-04 1856 0.354E-02 0.672E-02
DAV: 22 -0.445768259054E+03 -0.60708E-03 -0.15861E-04 1936 0.291E-02 0.288E-02
DAV: 23 -0.445768547300E+03 -0.28825E-03 -0.11571E-04 1648 0.206E-02 0.592E-02
DAV: 24 -0.445768680871E+03 -0.13357E-03 -0.59131E-05 1520 0.160E-02 0.128E-02
DAV: 25 -0.445768763531E+03 -0.82660E-04 -0.83292E-06 1064 0.742E-03 0.105E-02
DAV: 26 -0.445768829785E+03 -0.66254E-04 -0.10467E-05 1128 0.812E-03 0.553E-03
DAV: 27 -0.445768863193E+03 -0.33408E-04 -0.26549E-06 1000 0.413E-03 0.556E-03
DAV: 28 -0.445768883387E+03 -0.20195E-04 -0.13814E-06 968 0.313E-03 0.392E-03
DAV: 29 -0.445768895199E+03 -0.11811E-04 -0.10336E-06 968 0.236E-03 0.292E-03
DAV: 30 -0.445768903444E+03 -0.82453E-05 -0.87977E-07 944 0.232E-03
1 F= -.44576890E+03 E0= -.44574455E+03 d E =-.730551E-01