iterations/neb0_image09_iter55_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 0.209685645477E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142952380124E+03 -0.22398E+04 -0.21497E+04 2160 0.262E+02
DAV: 3 -0.466437492477E+03 -0.32349E+03 -0.32017E+03 1832 0.108E+02
DAV: 4 -0.479206757897E+03 -0.12769E+02 -0.12719E+02 1968 0.227E+01
DAV: 5 -0.479666766139E+03 -0.46001E+00 -0.45977E+00 2112 0.380E+00 0.427E+01
DAV: 6 -0.447170613517E+03 0.32496E+02 -0.14244E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449085001085E+03 -0.19144E+01 -0.75050E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446270754602E+03 0.28142E+01 -0.81969E+00 2416 0.798E+00 0.863E+00
DAV: 9 -0.446833502552E+03 -0.56275E+00 -0.15026E+01 1880 0.392E+00 0.485E+00
DAV: 10 -0.446009754456E+03 0.82375E+00 -0.62061E-01 2128 0.389E+00 0.323E+00
DAV: 11 -0.446133377698E+03 -0.12362E+00 -0.24183E+00 1904 0.163E+00 0.412E+00
DAV: 12 -0.446022146371E+03 0.11123E+00 -0.20850E+00 1992 0.129E+00 0.315E+00
DAV: 13 -0.446058212062E+03 -0.36066E-01 -0.16499E+00 2200 0.962E-01 0.355E+00
DAV: 14 -0.445968564409E+03 0.89648E-01 -0.42946E-01 2024 0.670E-01 0.401E-01
DAV: 15 -0.445977232621E+03 -0.86682E-02 -0.17922E-02 1960 0.257E-01 0.377E-01
DAV: 16 -0.445978050550E+03 -0.81793E-03 -0.50796E-03 1880 0.140E-01 0.126E-01
DAV: 17 -0.445980061003E+03 -0.20105E-02 -0.17183E-03 1912 0.899E-02 0.100E-01
DAV: 18 -0.445983149387E+03 -0.30884E-02 -0.50790E-03 2008 0.758E-02 0.381E-01
DAV: 19 -0.445985669610E+03 -0.25202E-02 -0.11381E-02 2240 0.130E-01 0.441E-01
DAV: 20 -0.445986235003E+03 -0.56539E-03 -0.17111E-03 1920 0.682E-02 0.453E-02
DAV: 21 -0.445987519043E+03 -0.12840E-02 -0.52148E-04 1784 0.486E-02 0.287E-02
DAV: 22 -0.445988040211E+03 -0.52117E-03 -0.29840E-04 1904 0.315E-02 0.985E-02
DAV: 23 -0.445988221376E+03 -0.18116E-03 -0.12109E-04 1648 0.196E-02 0.167E-02
DAV: 24 -0.445988429998E+03 -0.20862E-03 -0.60530E-05 1720 0.179E-02 0.905E-03
DAV: 25 -0.445988580959E+03 -0.15096E-03 -0.13588E-05 1184 0.795E-03 0.217E-02
DAV: 26 -0.445988652621E+03 -0.71662E-04 -0.69360E-06 1120 0.541E-03 0.198E-02
DAV: 27 -0.445988677035E+03 -0.24414E-04 -0.11501E-05 968 0.539E-03 0.148E-02
DAV: 28 -0.445988708533E+03 -0.31498E-04 -0.37937E-06 1032 0.394E-03 0.201E-03
DAV: 29 -0.445988724087E+03 -0.15554E-04 -0.12780E-06 976 0.200E-03 0.444E-03
DAV: 30 -0.445988728418E+03 -0.43309E-05 -0.76972E-07 936 0.255E-03
1 F= -.44598873E+03 E0= -.44596248E+03 d E =-.787408E-01