iterations/neb0_image03_iter17_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 0.209684435930E+04 0.20968E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.137687861132E+03 -0.22345E+04 -0.21452E+04 2152 0.262E+02
DAV: 3 -0.464609243351E+03 -0.32692E+03 -0.32271E+03 1864 0.108E+02
DAV: 4 -0.477437083605E+03 -0.12828E+02 -0.12776E+02 1976 0.228E+01
DAV: 5 -0.477925288142E+03 -0.48820E+00 -0.48794E+00 2128 0.386E+00 0.432E+01
DAV: 6 -0.450570596494E+03 0.27355E+02 -0.14690E+02 2024 0.317E+01 0.407E+01
DAV: 7 -0.454469434429E+03 -0.38988E+01 -0.13596E+02 1808 0.148E+01 0.217E+01
DAV: 8 -0.447901707428E+03 0.65677E+01 -0.96042E+00 1856 0.926E+00 0.135E+01
DAV: 9 -0.446151258821E+03 0.17504E+01 -0.18647E+01 2120 0.122E+01 0.121E+01
DAV: 10 -0.445368662040E+03 0.78260E+00 -0.41103E+00 1880 0.366E+00 0.110E+01
DAV: 11 -0.444802190813E+03 0.56647E+00 -0.45443E-01 2032 0.188E+00 0.990E+00
DAV: 12 -0.444451553353E+03 0.35064E+00 -0.84314E+00 2144 0.364E+00 0.914E+00
DAV: 13 -0.444018943749E+03 0.43261E+00 -0.53928E-01 1920 0.296E+00 0.635E+00
DAV: 14 -0.443873298244E+03 0.14565E+00 -0.32580E+00 1872 0.136E+00 0.585E+00
DAV: 15 -0.443792426073E+03 0.80872E-01 -0.13303E+00 2008 0.907E-01 0.215E+00
DAV: 16 -0.443842184288E+03 -0.49758E-01 -0.25722E-01 1896 0.619E-01 0.359E+00
DAV: 17 -0.443794759818E+03 0.47424E-01 -0.12004E-01 1864 0.336E-01 0.867E-01
DAV: 18 -0.443823414789E+03 -0.28655E-01 -0.26211E-02 2088 0.372E-01 0.151E+00
DAV: 19 -0.443816541518E+03 0.68733E-02 -0.56565E-03 1856 0.163E-01 0.900E-01
DAV: 20 -0.443816858480E+03 -0.31696E-03 -0.22275E-03 2080 0.118E-01 0.346E-01
DAV: 21 -0.443823174852E+03 -0.63164E-02 -0.22326E-03 1928 0.114E-01 0.488E-01
DAV: 22 -0.443824158582E+03 -0.98373E-03 -0.53464E-04 1768 0.636E-02 0.241E-01
DAV: 23 -0.443825697007E+03 -0.15384E-02 -0.52150E-04 2160 0.586E-02 0.427E-02
DAV: 24 -0.443827673122E+03 -0.19761E-02 -0.25119E-04 1840 0.386E-02 0.893E-02
DAV: 25 -0.443828325767E+03 -0.65265E-03 -0.11681E-04 1760 0.237E-02 0.667E-02
DAV: 26 -0.443828598226E+03 -0.27246E-03 -0.51139E-05 1624 0.166E-02 0.171E-02
DAV: 27 -0.443828881087E+03 -0.28286E-03 -0.26840E-05 1344 0.106E-02 0.707E-03
DAV: 28 -0.443828967222E+03 -0.86135E-04 -0.10403E-05 1248 0.599E-03 0.326E-02
DAV: 29 -0.443828985274E+03 -0.18052E-04 -0.47251E-06 1016 0.632E-03 0.411E-03
DAV: 30 -0.443829014125E+03 -0.28851E-04 -0.43168E-06 1024 0.491E-03 0.139E-02
DAV: 31 -0.443829019614E+03 -0.54891E-05 -0.82889E-07 936 0.251E-03
1 F= -.44382902E+03 E0= -.44381978E+03 d E =-.277067E-01