iterations/neb0_image03_iter25_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 0.209945524313E+04 0.20995E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.137368182329E+03 -0.22368E+04 -0.21469E+04 2144 0.262E+02
DAV: 3 -0.464109344750E+03 -0.32674E+03 -0.32152E+03 1872 0.108E+02
DAV: 4 -0.477319151376E+03 -0.13210E+02 -0.13158E+02 1960 0.230E+01
DAV: 5 -0.477798604170E+03 -0.47945E+00 -0.47920E+00 2104 0.384E+00 0.433E+01
DAV: 6 -0.451828891164E+03 0.25970E+02 -0.14721E+02 2008 0.316E+01 0.416E+01
DAV: 7 -0.454249244359E+03 -0.24204E+01 -0.13279E+02 1784 0.146E+01 0.219E+01
DAV: 8 -0.447713607286E+03 0.65356E+01 -0.98177E+00 1864 0.913E+00 0.136E+01
DAV: 9 -0.446594772669E+03 0.11188E+01 -0.17082E+01 2040 0.118E+01 0.121E+01
DAV: 10 -0.445769223452E+03 0.82555E+00 -0.40075E+00 1848 0.365E+00 0.106E+01
DAV: 11 -0.445268043756E+03 0.50118E+00 -0.33007E-01 1968 0.191E+00 0.972E+00
DAV: 12 -0.444372133914E+03 0.89591E+00 -0.59701E+00 2072 0.420E+00 0.105E+01
DAV: 13 -0.444416584175E+03 -0.44450E-01 -0.12130E+01 2008 0.340E+00 0.607E+00
DAV: 14 -0.443984701734E+03 0.43188E+00 -0.70527E-01 1872 0.141E+00 0.172E+00
DAV: 15 -0.444006894139E+03 -0.22192E-01 -0.97679E-02 1920 0.700E-01 0.259E+00
DAV: 16 -0.444003813480E+03 0.30807E-02 -0.24301E-02 1840 0.350E-01 0.897E-01
DAV: 17 -0.444022125294E+03 -0.18312E-01 -0.79479E-03 1888 0.211E-01 0.198E+00
DAV: 18 -0.444001622066E+03 0.20503E-01 -0.57087E-03 1904 0.264E-01 0.490E-01
DAV: 19 -0.444016451687E+03 -0.14830E-01 -0.32164E-03 1880 0.124E-01 0.332E-01
DAV: 20 -0.444017651354E+03 -0.11997E-02 -0.70988E-04 1896 0.972E-02 0.304E-01
DAV: 21 -0.444018219816E+03 -0.56846E-03 -0.43499E-04 1864 0.574E-02 0.654E-02
DAV: 22 -0.444019639396E+03 -0.14196E-02 -0.12394E-04 1752 0.243E-02 0.779E-02
DAV: 23 -0.444021534454E+03 -0.18951E-02 -0.38063E-04 1808 0.437E-02 0.827E-02
DAV: 24 -0.444021886536E+03 -0.35208E-03 -0.73429E-05 1776 0.203E-02 0.244E-02
DAV: 25 -0.444022077000E+03 -0.19046E-03 -0.33571E-05 1528 0.170E-02 0.315E-02
DAV: 26 -0.444022227734E+03 -0.15073E-03 -0.26951E-05 1432 0.137E-02 0.829E-03
DAV: 27 -0.444022309477E+03 -0.81743E-04 -0.89047E-06 1288 0.764E-03 0.377E-02
DAV: 28 -0.444022336469E+03 -0.26992E-04 -0.69704E-06 1144 0.928E-03 0.605E-03
DAV: 29 -0.444022356058E+03 -0.19589E-04 -0.46222E-06 936 0.571E-03 0.466E-03
DAV: 30 -0.444022370973E+03 -0.14915E-04 -0.13753E-06 952 0.421E-03 0.271E-03
DAV: 31 -0.444022383142E+03 -0.12169E-04 -0.24990E-06 936 0.422E-03 0.308E-03
DAV: 32 -0.444022388294E+03 -0.51514E-05 -0.47142E-07 936 0.213E-03
1 F= -.44402239E+03 E0= -.44400862E+03 d E =-.412963E-01