iterations/neb0_image09_iter9_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 0.209840274872E+04 0.20984E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142047944166E+03 -0.22405E+04 -0.21509E+04 2152 0.262E+02
DAV: 3 -0.466112484930E+03 -0.32406E+03 -0.32065E+03 1840 0.108E+02
DAV: 4 -0.478958604468E+03 -0.12846E+02 -0.12798E+02 1984 0.228E+01
DAV: 5 -0.479404931266E+03 -0.44633E+00 -0.44609E+00 2128 0.374E+00 0.427E+01
DAV: 6 -0.447313640805E+03 0.32091E+02 -0.14333E+02 2008 0.309E+01 0.270E+01
DAV: 7 -0.448549556313E+03 -0.12359E+01 -0.65188E+01 1880 0.111E+01 0.135E+01
DAV: 8 -0.446554404361E+03 0.19952E+01 -0.76692E+00 2520 0.804E+00 0.997E+00
DAV: 9 -0.446746170040E+03 -0.19177E+00 -0.20014E+01 2040 0.461E+00 0.554E+00
DAV: 10 -0.445853673512E+03 0.89250E+00 -0.95144E-01 2232 0.422E+00 0.333E+00
DAV: 11 -0.445873228839E+03 -0.19555E-01 -0.18248E+00 1920 0.171E+00 0.323E+00
DAV: 12 -0.445835487205E+03 0.37742E-01 -0.13665E+00 1968 0.102E+00 0.253E+00
DAV: 13 -0.445865918884E+03 -0.30432E-01 -0.11289E+00 2160 0.792E-01 0.316E+00
DAV: 14 -0.445800432125E+03 0.65487E-01 -0.38136E-01 1984 0.628E-01 0.340E-01
DAV: 15 -0.445819258333E+03 -0.18826E-01 -0.48918E-02 1992 0.348E-01 0.138E+00
DAV: 16 -0.445808264974E+03 0.10993E-01 -0.24202E-02 1880 0.202E-01 0.355E-01
DAV: 17 -0.445810674986E+03 -0.24100E-02 -0.29428E-03 1880 0.107E-01 0.133E-01
DAV: 18 -0.445813884396E+03 -0.32094E-02 -0.17814E-03 1984 0.757E-02 0.243E-01
DAV: 19 -0.445815613807E+03 -0.17294E-02 -0.65308E-04 1912 0.794E-02 0.116E-01
DAV: 20 -0.445817511636E+03 -0.18978E-02 -0.10621E-03 2064 0.774E-02 0.776E-02
DAV: 21 -0.445818369745E+03 -0.85811E-03 -0.23826E-04 1912 0.400E-02 0.456E-02
DAV: 22 -0.445819013109E+03 -0.64336E-03 -0.15301E-04 1872 0.264E-02 0.438E-02
DAV: 23 -0.445819328839E+03 -0.31573E-03 -0.12041E-04 1712 0.194E-02 0.659E-02
DAV: 24 -0.445819441228E+03 -0.11239E-03 -0.55302E-05 1624 0.197E-02 0.159E-02
DAV: 25 -0.445819562406E+03 -0.12118E-03 -0.15335E-05 1168 0.984E-03 0.436E-03
DAV: 26 -0.445819626053E+03 -0.63647E-04 -0.70928E-06 1080 0.639E-03 0.843E-03
DAV: 27 -0.445819657086E+03 -0.31032E-04 -0.16448E-06 976 0.297E-03 0.451E-03
DAV: 28 -0.445819678869E+03 -0.21783E-04 -0.15138E-06 1008 0.348E-03 0.227E-03
DAV: 29 -0.445819691483E+03 -0.12614E-04 -0.77206E-07 944 0.195E-03 0.134E-03
DAV: 30 -0.445819698370E+03 -0.68875E-05 -0.73449E-07 960 0.253E-03
1 F= -.44581970E+03 E0= -.44579520E+03 d E =-.734975E-01