iterations/neb0_image04_iter63_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 0.209028738397E+04 0.20903E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139799745371E+03 -0.22301E+04 -0.21415E+04 2136 0.261E+02
DAV: 3 -0.464942055459E+03 -0.32514E+03 -0.32092E+03 1864 0.107E+02
DAV: 4 -0.477654202266E+03 -0.12712E+02 -0.12662E+02 1960 0.226E+01
DAV: 5 -0.478125381224E+03 -0.47118E+00 -0.47093E+00 2144 0.378E+00 0.430E+01
DAV: 6 -0.448613900902E+03 0.29511E+02 -0.14781E+02 2016 0.321E+01 0.374E+01
DAV: 7 -0.453361597134E+03 -0.47477E+01 -0.22337E+02 1928 0.151E+01 0.205E+01
DAV: 8 -0.447241904048E+03 0.61197E+01 -0.89487E+00 1752 0.893E+00 0.128E+01
DAV: 9 -0.446925726625E+03 0.31618E+00 -0.36292E+01 1960 0.130E+01 0.109E+01
DAV: 10 -0.446097311040E+03 0.82842E+00 -0.39029E+00 1840 0.387E+00 0.102E+01
DAV: 11 -0.444698682341E+03 0.13986E+01 -0.17293E+00 2000 0.318E+00 0.577E+00
DAV: 12 -0.444986878454E+03 -0.28820E+00 -0.78723E+00 2144 0.323E+00 0.803E+00
DAV: 13 -0.444505235731E+03 0.48164E+00 -0.67579E-01 2024 0.251E+00 0.443E+00
DAV: 14 -0.444473838294E+03 0.31397E-01 -0.18160E+00 1912 0.136E+00 0.356E+00
DAV: 15 -0.444513506888E+03 -0.39669E-01 -0.18339E-01 1904 0.863E-01 0.614E+00
DAV: 16 -0.444394625344E+03 0.11888E+00 -0.20462E-01 1856 0.418E-01 0.350E+00
DAV: 17 -0.444395259222E+03 -0.63388E-03 -0.58055E-01 2232 0.779E-01 0.110E+00
DAV: 18 -0.444449872331E+03 -0.54613E-01 -0.91174E-02 1896 0.538E-01 0.179E+00
DAV: 19 -0.444416981894E+03 0.32890E-01 -0.82376E-02 1896 0.386E-01 0.769E-01
DAV: 20 -0.444421098300E+03 -0.41164E-02 -0.11873E-02 1904 0.183E-01 0.372E-01
DAV: 21 -0.444424095592E+03 -0.29973E-02 -0.18261E-03 1984 0.963E-02 0.346E-01
DAV: 22 -0.444425822576E+03 -0.17270E-02 -0.23749E-03 2192 0.888E-02 0.180E-01
DAV: 23 -0.444427791417E+03 -0.19688E-02 -0.10188E-03 1920 0.625E-02 0.880E-02
DAV: 24 -0.444429648745E+03 -0.18573E-02 -0.35719E-04 1872 0.382E-02 0.108E-01
DAV: 25 -0.444430035022E+03 -0.38628E-03 -0.62443E-05 1568 0.182E-02 0.812E-02
DAV: 26 -0.444430417124E+03 -0.38210E-03 -0.93358E-05 1872 0.276E-02 0.734E-02
DAV: 27 -0.444430621953E+03 -0.20483E-03 -0.88694E-05 1584 0.177E-02 0.210E-02
DAV: 28 -0.444430752004E+03 -0.13005E-03 -0.22563E-05 1232 0.115E-02 0.408E-02
DAV: 29 -0.444430857736E+03 -0.10573E-03 -0.38820E-05 1336 0.111E-02 0.871E-03
DAV: 30 -0.444430890444E+03 -0.32708E-04 -0.39651E-06 1000 0.477E-03 0.637E-03
DAV: 31 -0.444430910019E+03 -0.19575E-04 -0.71011E-06 1064 0.788E-03 0.120E-02
DAV: 32 -0.444430917519E+03 -0.75006E-05 -0.51874E-06 936 0.447E-03
1 F= -.44443092E+03 E0= -.44442319E+03 d E =-.231834E-01