iterations/neb0_image04_iter46_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 0.208763047259E+04 0.20876E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141711446148E+03 -0.22293E+04 -0.21387E+04 2136 0.261E+02
DAV: 3 -0.465905413098E+03 -0.32419E+03 -0.32075E+03 1856 0.107E+02
DAV: 4 -0.478329878069E+03 -0.12424E+02 -0.12371E+02 1952 0.224E+01
DAV: 5 -0.478799140306E+03 -0.46926E+00 -0.46901E+00 2136 0.379E+00 0.429E+01
DAV: 6 -0.447682354389E+03 0.31117E+02 -0.14643E+02 2024 0.318E+01 0.380E+01
DAV: 7 -0.454425239470E+03 -0.67429E+01 -0.30025E+02 1920 0.139E+01 0.209E+01
DAV: 8 -0.448328622400E+03 0.60966E+01 -0.87310E+00 1800 0.769E+00 0.128E+01
DAV: 9 -0.446201903835E+03 0.21267E+01 -0.22350E+01 2024 0.119E+01 0.973E+00
DAV: 10 -0.445436713138E+03 0.76519E+00 -0.41046E+00 1904 0.363E+00 0.103E+01
DAV: 11 -0.444674716136E+03 0.76200E+00 -0.79709E-01 1952 0.193E+00 0.623E+00
DAV: 12 -0.445138826871E+03 -0.46411E+00 -0.94912E+00 2200 0.367E+00 0.719E+00
DAV: 13 -0.444409813362E+03 0.72901E+00 -0.89670E-01 2136 0.317E+00 0.595E+00
DAV: 14 -0.444250861703E+03 0.15895E+00 -0.22575E+00 1864 0.126E+00 0.264E+00
DAV: 15 -0.444322194343E+03 -0.71333E-01 -0.39201E-01 1960 0.814E-01 0.543E+00
DAV: 16 -0.444174902248E+03 0.14729E+00 -0.36825E-01 1856 0.514E-01 0.212E+00
DAV: 17 -0.444211823907E+03 -0.36922E-01 -0.71330E-02 1864 0.400E-01 0.586E-01
DAV: 18 -0.444237801543E+03 -0.25978E-01 -0.10143E-02 1816 0.223E-01 0.189E-01
DAV: 19 -0.444243615756E+03 -0.58142E-02 -0.46296E-03 1976 0.127E-01 0.353E-01
DAV: 20 -0.444245550592E+03 -0.19348E-02 -0.13761E-03 1896 0.759E-02 0.329E-01
DAV: 21 -0.444248178831E+03 -0.26282E-02 -0.24788E-03 1864 0.826E-02 0.935E-02
DAV: 22 -0.444251135563E+03 -0.29567E-02 -0.13059E-03 1880 0.673E-02 0.178E-01
DAV: 23 -0.444252338684E+03 -0.12031E-02 -0.55593E-04 1800 0.523E-02 0.655E-02
DAV: 24 -0.444253271535E+03 -0.93285E-03 -0.27887E-04 1792 0.369E-02 0.293E-02
DAV: 25 -0.444253791334E+03 -0.51980E-03 -0.70318E-05 1648 0.221E-02 0.199E-02
DAV: 26 -0.444254118853E+03 -0.32752E-03 -0.11929E-04 1680 0.211E-02 0.592E-02
DAV: 27 -0.444254184338E+03 -0.65485E-04 -0.11202E-04 1392 0.180E-02 0.157E-02
DAV: 28 -0.444254261290E+03 -0.76952E-04 -0.40731E-05 1472 0.129E-02 0.470E-02
DAV: 29 -0.444254272894E+03 -0.11604E-04 -0.14849E-05 952 0.785E-03 0.204E-02
DAV: 30 -0.444254305920E+03 -0.33027E-04 -0.87737E-06 1080 0.729E-03 0.109E-02
DAV: 31 -0.444254324450E+03 -0.18530E-04 -0.23437E-06 952 0.364E-03 0.552E-03
DAV: 32 -0.444254335939E+03 -0.11489E-04 -0.33410E-06 1008 0.305E-03 0.614E-03
DAV: 33 -0.444254337949E+03 -0.20095E-05 -0.54463E-07 936 0.216E-03
1 F= -.44425434E+03 E0= -.44423560E+03 d E =-.562063E-01