iterations/neb0_image08_iter35_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 0.210453994711E+04 0.21045E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.141301816523E+03 -0.22458E+04 -0.21560E+04 2168 0.262E+02
DAV: 3 -0.466648960752E+03 -0.32535E+03 -0.32212E+03 1856 0.108E+02
DAV: 4 -0.478923190441E+03 -0.12274E+02 -0.12225E+02 1944 0.224E+01
DAV: 5 -0.479383937139E+03 -0.46075E+00 -0.46052E+00 2112 0.381E+00 0.429E+01
DAV: 6 -0.447647180628E+03 0.31737E+02 -0.14424E+02 1984 0.311E+01 0.271E+01
DAV: 7 -0.448001270499E+03 -0.35409E+00 -0.43301E+01 1864 0.112E+01 0.135E+01
DAV: 8 -0.447061064907E+03 0.94021E+00 -0.78512E+00 2392 0.801E+00 0.992E+00
DAV: 9 -0.446104461888E+03 0.95660E+00 -0.97080E+00 2040 0.457E+00 0.563E+00
DAV: 10 -0.446302719486E+03 -0.19826E+00 -0.93689E-01 2200 0.442E+00 0.643E+00
DAV: 11 -0.445658962777E+03 0.64376E+00 -0.15757E+00 1944 0.217E+00 0.160E+00
DAV: 12 -0.445682196555E+03 -0.23234E-01 -0.25552E-01 1912 0.117E+00 0.131E+00
DAV: 13 -0.445685480143E+03 -0.32836E-02 -0.75651E-02 1832 0.540E-01 0.858E-01
DAV: 14 -0.445705646983E+03 -0.20167E-01 -0.18896E-01 1904 0.419E-01 0.188E+00
DAV: 15 -0.445698471478E+03 0.71755E-02 -0.35551E-01 2416 0.541E-01 0.145E+00
DAV: 16 -0.445689467940E+03 0.90035E-02 -0.38998E-02 2008 0.259E-01 0.217E-01
DAV: 17 -0.445691994675E+03 -0.25267E-02 -0.38992E-03 1920 0.131E-01 0.197E-01
DAV: 18 -0.445694222368E+03 -0.22277E-02 -0.33088E-03 2096 0.112E-01 0.294E-01
DAV: 19 -0.445694874833E+03 -0.65246E-03 -0.54546E-04 1872 0.711E-02 0.953E-02
DAV: 20 -0.445697437377E+03 -0.25625E-02 -0.14433E-03 2136 0.119E-01 0.799E-02
DAV: 21 -0.445698498126E+03 -0.10607E-02 -0.52636E-04 2040 0.596E-02 0.764E-02
DAV: 22 -0.445699227149E+03 -0.72902E-03 -0.30702E-04 1912 0.442E-02 0.325E-02
DAV: 23 -0.445699888591E+03 -0.66144E-03 -0.15635E-04 1952 0.305E-02 0.112E-01
DAV: 24 -0.445700156140E+03 -0.26755E-03 -0.83617E-05 1816 0.245E-02 0.396E-02
DAV: 25 -0.445700308776E+03 -0.15264E-03 -0.32731E-05 1544 0.130E-02 0.154E-02
DAV: 26 -0.445700348577E+03 -0.39800E-04 -0.46426E-06 936 0.534E-03 0.680E-03
DAV: 27 -0.445700402931E+03 -0.54355E-04 -0.51606E-06 1064 0.562E-03 0.119E-02
DAV: 28 -0.445700430412E+03 -0.27481E-04 -0.28893E-06 992 0.451E-03 0.317E-03
DAV: 29 -0.445700441727E+03 -0.11315E-04 -0.12408E-06 936 0.247E-03 0.256E-03
DAV: 30 -0.445700453792E+03 -0.12065E-04 -0.84516E-07 992 0.198E-03 0.269E-03
DAV: 31 -0.445700456172E+03 -0.23806E-05 -0.22800E-07 936 0.121E-03
1 F= -.44570046E+03 E0= -.44567561E+03 d E =-.745502E-01