iterations/neb0_image07_iter58_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 0.210051335027E+04 0.21005E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137977460717E+03 -0.22385E+04 -0.21458E+04 2144 0.262E+02
DAV: 3 -0.464484529796E+03 -0.32651E+03 -0.32183E+03 1856 0.108E+02
DAV: 4 -0.477460839704E+03 -0.12976E+02 -0.12926E+02 1960 0.229E+01
DAV: 5 -0.477957358013E+03 -0.49652E+00 -0.49626E+00 2112 0.388E+00 0.427E+01
DAV: 6 -0.448570413870E+03 0.29387E+02 -0.14696E+02 2016 0.318E+01 0.271E+01
DAV: 7 -0.445925023873E+03 0.26454E+01 -0.25728E+01 1872 0.117E+01 0.124E+01
DAV: 8 -0.445514707008E+03 0.41032E+00 -0.46543E+00 1944 0.586E+00 0.560E+00
DAV: 9 -0.445599982033E+03 -0.85275E-01 -0.23372E+00 1928 0.243E+00 0.592E+00
DAV: 10 -0.445787314955E+03 -0.18733E+00 -0.73645E+00 2464 0.297E+00 0.482E+00
DAV: 11 -0.445505989478E+03 0.28133E+00 -0.22887E-01 2016 0.154E+00 0.333E+00
DAV: 12 -0.445405220602E+03 0.10077E+00 -0.71030E-01 2128 0.110E+00 0.655E-01
DAV: 13 -0.445420838206E+03 -0.15618E-01 -0.48116E-02 1896 0.493E-01 0.389E-01
DAV: 14 -0.445428693171E+03 -0.78550E-02 -0.95265E-03 2056 0.285E-01 0.814E-01
DAV: 15 -0.445427505238E+03 0.11879E-02 -0.75972E-03 2376 0.268E-01 0.413E-01
DAV: 16 -0.445428492008E+03 -0.98677E-03 -0.32762E-03 1816 0.131E-01 0.259E-01
DAV: 17 -0.445429752352E+03 -0.12603E-02 -0.13105E-03 2136 0.958E-02 0.599E-02
DAV: 18 -0.445431538248E+03 -0.17859E-02 -0.67436E-04 1832 0.598E-02 0.820E-02
DAV: 19 -0.445433623820E+03 -0.20856E-02 -0.31636E-04 2024 0.404E-02 0.129E-01
DAV: 20 -0.445434882152E+03 -0.12583E-02 -0.32344E-04 2072 0.542E-02 0.240E-02
DAV: 21 -0.445435711543E+03 -0.82939E-03 -0.15358E-04 1776 0.269E-02 0.371E-02
DAV: 22 -0.445436024435E+03 -0.31289E-03 -0.50289E-05 1664 0.169E-02 0.153E-02
DAV: 23 -0.445436260213E+03 -0.23578E-03 -0.19252E-05 1232 0.101E-02 0.227E-02
DAV: 24 -0.445436416414E+03 -0.15620E-03 -0.27210E-05 1464 0.153E-02 0.130E-02
DAV: 25 -0.445436442873E+03 -0.26459E-04 -0.10073E-05 976 0.754E-03 0.101E-02
DAV: 26 -0.445436473634E+03 -0.30761E-04 -0.34518E-06 1032 0.556E-03 0.609E-03
DAV: 27 -0.445436489047E+03 -0.15414E-04 -0.30501E-06 936 0.477E-03 0.321E-03
DAV: 28 -0.445436503173E+03 -0.14126E-04 -0.91387E-07 960 0.247E-03 0.193E-03
DAV: 29 -0.445436514515E+03 -0.11342E-04 -0.15359E-06 936 0.353E-03 0.176E-03
DAV: 30 -0.445436516909E+03 -0.23943E-05 -0.45902E-07 936 0.184E-03
1 F= -.44543652E+03 E0= -.44542332E+03 d E =-.395929E-01