iterations/neb0_image08_iter7_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 0.210610736160E+04 0.21061E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.137863045322E+03 -0.22440E+04 -0.21549E+04 2152 0.262E+02
DAV: 3 -0.465163073886E+03 -0.32730E+03 -0.32373E+03 1864 0.108E+02
DAV: 4 -0.477932083950E+03 -0.12769E+02 -0.12721E+02 1936 0.228E+01
DAV: 5 -0.478415895516E+03 -0.48381E+00 -0.48354E+00 2136 0.385E+00 0.429E+01
DAV: 6 -0.447612956358E+03 0.30803E+02 -0.14487E+02 2008 0.315E+01 0.271E+01
DAV: 7 -0.446710695970E+03 0.90226E+00 -0.24191E+01 1904 0.115E+01 0.134E+01
DAV: 8 -0.447174784858E+03 -0.46409E+00 -0.72277E+00 2432 0.842E+00 0.984E+00
DAV: 9 -0.445182499378E+03 0.19923E+01 -0.21392E+00 2184 0.467E+00 0.394E+00
DAV: 10 -0.445673063544E+03 -0.49056E+00 -0.55352E+00 1984 0.360E+00 0.702E+00
DAV: 11 -0.445198241562E+03 0.47482E+00 -0.22884E+00 2264 0.266E+00 0.299E+00
DAV: 12 -0.445261172330E+03 -0.62931E-01 -0.20086E+00 2024 0.130E+00 0.395E+00
DAV: 13 -0.445163952179E+03 0.97220E-01 -0.99070E-01 2304 0.111E+00 0.124E+00
DAV: 14 -0.445192101088E+03 -0.28149E-01 -0.51295E-02 1848 0.461E-01 0.172E+00
DAV: 15 -0.445171908041E+03 0.20193E-01 -0.81120E-02 2104 0.449E-01 0.441E-01
DAV: 16 -0.445176964597E+03 -0.50566E-02 -0.14770E-02 1848 0.209E-01 0.103E-01
DAV: 17 -0.445178176383E+03 -0.12118E-02 -0.18521E-03 2008 0.676E-02 0.224E-01
DAV: 18 -0.445179993678E+03 -0.18173E-02 -0.51968E-03 2416 0.114E-01 0.272E-01
DAV: 19 -0.445182212807E+03 -0.22191E-02 -0.12244E-03 1808 0.636E-02 0.120E-01
DAV: 20 -0.445184063350E+03 -0.18505E-02 -0.10379E-03 2136 0.577E-02 0.746E-02
DAV: 21 -0.445184988026E+03 -0.92468E-03 -0.59144E-04 1872 0.389E-02 0.727E-02
DAV: 22 -0.445185523622E+03 -0.53560E-03 -0.29488E-04 1816 0.301E-02 0.386E-02
DAV: 23 -0.445185909973E+03 -0.38635E-03 -0.81437E-05 1720 0.192E-02 0.531E-02
DAV: 24 -0.445185993428E+03 -0.83455E-04 -0.29310E-05 1408 0.142E-02 0.303E-02
DAV: 25 -0.445186058632E+03 -0.65204E-04 -0.40689E-05 1344 0.124E-02 0.129E-02
DAV: 26 -0.445186117153E+03 -0.58520E-04 -0.54762E-06 1088 0.620E-03 0.130E-02
DAV: 27 -0.445186153636E+03 -0.36484E-04 -0.26927E-06 1056 0.368E-03 0.121E-02
DAV: 28 -0.445186171642E+03 -0.18006E-04 -0.57639E-06 952 0.380E-03 0.373E-03
DAV: 29 -0.445186182624E+03 -0.10982E-04 -0.14847E-06 976 0.234E-03 0.735E-03
DAV: 30 -0.445186185922E+03 -0.32980E-05 -0.13878E-06 936 0.176E-03
1 F= -.44518619E+03 E0= -.44516617E+03 d E =-.600451E-01