iterations/neb0_image07_iter27_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 0.210292467352E+04 0.21029E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138064628058E+03 -0.22410E+04 -0.21510E+04 2152 0.262E+02
DAV: 3 -0.464614551003E+03 -0.32655E+03 -0.32178E+03 1880 0.108E+02
DAV: 4 -0.477385379747E+03 -0.12771E+02 -0.12723E+02 1960 0.227E+01
DAV: 5 -0.477866542643E+03 -0.48116E+00 -0.48088E+00 2120 0.384E+00 0.430E+01
DAV: 6 -0.448248755012E+03 0.29618E+02 -0.14747E+02 2008 0.320E+01 0.273E+01
DAV: 7 -0.445646158098E+03 0.26026E+01 -0.24309E+01 1840 0.115E+01 0.124E+01
DAV: 8 -0.445372097158E+03 0.27406E+00 -0.56094E+00 1992 0.574E+00 0.770E+00
DAV: 9 -0.447195037054E+03 -0.18229E+01 -0.32789E+01 2448 0.770E+00 0.743E+00
DAV: 10 -0.446246961847E+03 0.94808E+00 -0.12871E+00 1808 0.258E+00 0.615E+00
DAV: 11 -0.445118561293E+03 0.11284E+01 -0.18884E+00 2352 0.345E+00 0.171E+00
DAV: 12 -0.445134836658E+03 -0.16275E-01 -0.37605E-01 1896 0.130E+00 0.829E-01
DAV: 13 -0.445164891422E+03 -0.30055E-01 -0.42276E-02 2264 0.545E-01 0.213E+00
DAV: 14 -0.445243866729E+03 -0.78975E-01 -0.58675E-01 2552 0.121E+00 0.292E+00
DAV: 15 -0.445191943686E+03 0.51923E-01 -0.30333E-02 1824 0.406E-01 0.226E+00
DAV: 16 -0.445150942195E+03 0.41001E-01 -0.79104E-02 2248 0.444E-01 0.132E+00
DAV: 17 -0.445142755277E+03 0.81869E-02 -0.21541E-02 2016 0.422E-01 0.189E-01
DAV: 18 -0.445148923041E+03 -0.61678E-02 -0.62265E-03 1848 0.177E-01 0.218E-01
DAV: 19 -0.445151269477E+03 -0.23464E-02 -0.79586E-04 2320 0.778E-02 0.510E-01
DAV: 20 -0.445150786770E+03 0.48271E-03 -0.10124E-03 2016 0.102E-01 0.858E-02
DAV: 21 -0.445153216476E+03 -0.24297E-02 -0.77404E-04 1904 0.716E-02 0.495E-02
DAV: 22 -0.445154095920E+03 -0.87944E-03 -0.20589E-04 1904 0.386E-02 0.116E-01
DAV: 23 -0.445154485112E+03 -0.38919E-03 -0.21116E-04 1888 0.354E-02 0.162E-01
DAV: 24 -0.445155471571E+03 -0.98646E-03 -0.17746E-04 1832 0.308E-02 0.219E-01
DAV: 25 -0.445155423536E+03 0.48035E-04 -0.68119E-05 1656 0.268E-02 0.995E-02
DAV: 26 -0.445155730271E+03 -0.30674E-03 -0.53056E-05 1704 0.154E-02 0.791E-02
DAV: 27 -0.445155823970E+03 -0.93699E-04 -0.28021E-05 1544 0.185E-02 0.374E-02
DAV: 28 -0.445155867321E+03 -0.43351E-04 -0.27386E-05 1432 0.145E-02 0.761E-03
DAV: 29 -0.445155882505E+03 -0.15184E-04 -0.55176E-06 936 0.646E-03 0.571E-03
DAV: 30 -0.445155902682E+03 -0.20177E-04 -0.24596E-06 984 0.428E-03 0.329E-03
DAV: 31 -0.445155914257E+03 -0.11575E-04 -0.13763E-06 936 0.262E-03 0.237E-03
DAV: 32 -0.445155920141E+03 -0.58844E-05 -0.70311E-07 936 0.233E-03
1 F= -.44515592E+03 E0= -.44514193E+03 d E =-.419646E-01