iterations/neb0_image04_iter24_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 0.209270409055E+04 0.20927E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.139149614756E+03 -0.22319E+04 -0.21392E+04 2128 0.262E+02
DAV: 3 -0.465599759752E+03 -0.32645E+03 -0.32302E+03 1848 0.108E+02
DAV: 4 -0.478207149526E+03 -0.12607E+02 -0.12556E+02 1976 0.226E+01
DAV: 5 -0.478667250569E+03 -0.46010E+00 -0.45989E+00 2112 0.379E+00 0.430E+01
DAV: 6 -0.447089718816E+03 0.31578E+02 -0.14679E+02 2056 0.316E+01 0.384E+01
DAV: 7 -0.454069454937E+03 -0.69797E+01 -0.26314E+02 1920 0.138E+01 0.209E+01
DAV: 8 -0.448058215578E+03 0.60112E+01 -0.86691E+00 1808 0.748E+00 0.127E+01
DAV: 9 -0.445396067751E+03 0.26621E+01 -0.18580E+01 2056 0.114E+01 0.929E+00
DAV: 10 -0.444598323942E+03 0.79774E+00 -0.38184E+00 1920 0.345E+00 0.104E+01
DAV: 11 -0.444052313846E+03 0.54601E+00 -0.74153E-01 1928 0.160E+00 0.585E+00
DAV: 12 -0.444314563437E+03 -0.26225E+00 -0.73063E+00 2168 0.364E+00 0.688E+00
DAV: 13 -0.444292807523E+03 0.21756E-01 -0.43639E+00 2072 0.321E+00 0.102E+01
DAV: 14 -0.443984065320E+03 0.30874E+00 -0.33092E-01 1792 0.856E-01 0.836E+00
DAV: 15 -0.443627599788E+03 0.35647E+00 -0.27212E+00 2048 0.161E+00 0.422E+00
DAV: 16 -0.443624152058E+03 0.34477E-02 -0.26166E-01 1856 0.806E-01 0.298E+00
DAV: 17 -0.443653213089E+03 -0.29061E-01 -0.12319E-01 1904 0.350E-01 0.294E+00
DAV: 18 -0.443661714163E+03 -0.85011E-02 -0.32786E-01 2264 0.627E-01 0.156E+00
DAV: 19 -0.443690234459E+03 -0.28520E-01 -0.26339E-02 1744 0.341E-01 0.107E+00
DAV: 20 -0.443687304433E+03 0.29300E-02 -0.17227E-02 2040 0.228E-01 0.980E-01
DAV: 21 -0.443690903045E+03 -0.35986E-02 -0.78587E-02 2024 0.247E-01 0.802E-01
DAV: 22 -0.443690189495E+03 0.71355E-03 -0.64493E-03 1872 0.112E-01 0.351E-01
DAV: 23 -0.443692634371E+03 -0.24449E-02 -0.61354E-03 1936 0.897E-02 0.318E-01
DAV: 24 -0.443694263840E+03 -0.16295E-02 -0.29096E-03 1848 0.673E-02 0.706E-02
DAV: 25 -0.443696582283E+03 -0.23184E-02 -0.94231E-04 1928 0.536E-02 0.145E-01
DAV: 26 -0.443697114148E+03 -0.53187E-03 -0.37577E-04 1784 0.321E-02 0.102E-01
DAV: 27 -0.443697349535E+03 -0.23539E-03 -0.11440E-04 1664 0.208E-02 0.643E-02
DAV: 28 -0.443697639582E+03 -0.29005E-03 -0.73667E-05 1480 0.147E-02 0.322E-02
DAV: 29 -0.443697776904E+03 -0.13732E-03 -0.29728E-05 1320 0.111E-02 0.323E-02
DAV: 30 -0.443697848077E+03 -0.71174E-04 -0.23845E-05 1248 0.723E-03 0.316E-02
DAV: 31 -0.443697877643E+03 -0.29566E-04 -0.20131E-05 1016 0.738E-03 0.940E-03
DAV: 32 -0.443697903541E+03 -0.25898E-04 -0.11005E-05 1064 0.596E-03 0.265E-02
DAV: 33 -0.443697909496E+03 -0.59546E-05 -0.24485E-06 936 0.283E-03
1 F= -.44369791E+03 E0= -.44367360E+03 d E =-.729217E-01