iterations/neb0_image08_iter48_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 0.210255862557E+04 0.21026E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142055076846E+03 -0.22446E+04 -0.21543E+04 2176 0.262E+02
DAV: 3 -0.466147251852E+03 -0.32409E+03 -0.32080E+03 1824 0.108E+02
DAV: 4 -0.478937366776E+03 -0.12790E+02 -0.12740E+02 2000 0.227E+01
DAV: 5 -0.479389802016E+03 -0.45244E+00 -0.45222E+00 2096 0.378E+00 0.427E+01
DAV: 6 -0.447622483567E+03 0.31767E+02 -0.14413E+02 1992 0.310E+01 0.271E+01
DAV: 7 -0.448281386367E+03 -0.65890E+00 -0.56088E+01 1840 0.111E+01 0.136E+01
DAV: 8 -0.446912522917E+03 0.13689E+01 -0.81984E+00 2456 0.793E+00 0.994E+00
DAV: 9 -0.446377596967E+03 0.53493E+00 -0.12745E+01 2000 0.452E+00 0.558E+00
DAV: 10 -0.446103879979E+03 0.27372E+00 -0.90809E-01 2248 0.442E+00 0.612E+00
DAV: 11 -0.445763300965E+03 0.34058E+00 -0.35009E+00 1912 0.212E+00 0.282E+00
DAV: 12 -0.445763855919E+03 -0.55495E-03 -0.89900E-01 1928 0.106E+00 0.218E+00
DAV: 13 -0.445773832206E+03 -0.99763E-02 -0.66597E-01 2000 0.661E-01 0.242E+00
DAV: 14 -0.445744513552E+03 0.29319E-01 -0.28541E-01 2064 0.553E-01 0.631E-01
DAV: 15 -0.445750760614E+03 -0.62471E-02 -0.16160E-02 1904 0.271E-01 0.499E-01
DAV: 16 -0.445750356551E+03 0.40406E-03 -0.49526E-03 1864 0.126E-01 0.224E-01
DAV: 17 -0.445752024093E+03 -0.16675E-02 -0.19186E-03 2008 0.923E-02 0.161E-01
DAV: 18 -0.445754630390E+03 -0.26063E-02 -0.59394E-04 1896 0.753E-02 0.729E-02
DAV: 19 -0.445757028747E+03 -0.23984E-02 -0.72434E-04 1832 0.642E-02 0.215E-01
DAV: 20 -0.445757713333E+03 -0.68459E-03 -0.35968E-04 1872 0.486E-02 0.269E-02
DAV: 21 -0.445759276284E+03 -0.15630E-02 -0.31726E-04 1816 0.364E-02 0.101E-01
DAV: 22 -0.445759977891E+03 -0.70161E-03 -0.18681E-04 1768 0.279E-02 0.362E-02
DAV: 23 -0.445760223607E+03 -0.24572E-03 -0.63325E-05 1728 0.189E-02 0.242E-02
DAV: 24 -0.445760326248E+03 -0.10264E-03 -0.18193E-05 1152 0.123E-02 0.892E-03
DAV: 25 -0.445760372836E+03 -0.46588E-04 -0.11651E-05 944 0.837E-03 0.120E-02
DAV: 26 -0.445760428594E+03 -0.55758E-04 -0.37372E-06 1080 0.491E-03 0.153E-02
DAV: 27 -0.445760468638E+03 -0.40044E-04 -0.45089E-06 1056 0.664E-03 0.274E-03
DAV: 28 -0.445760479247E+03 -0.10610E-04 -0.13554E-06 936 0.304E-03 0.275E-03
DAV: 29 -0.445760487670E+03 -0.84226E-05 -0.78252E-07 944 0.223E-03
1 F= -.44576049E+03 E0= -.44573504E+03 d E =-.763529E-01