iterations/neb0_image04_iter11_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 0.208804287690E+04 0.20880E+04 -0.11605E+05 1704 0.105E+03
DAV: 2 -0.139947192465E+03 -0.22280E+04 -0.21403E+04 2144 0.261E+02
DAV: 3 -0.464661297822E+03 -0.32471E+03 -0.32106E+03 1880 0.107E+02
DAV: 4 -0.477058442251E+03 -0.12397E+02 -0.12347E+02 1944 0.224E+01
DAV: 5 -0.477546156787E+03 -0.48771E+00 -0.48743E+00 2152 0.383E+00 0.428E+01
DAV: 6 -0.447307203963E+03 0.30239E+02 -0.14645E+02 2024 0.321E+01 0.355E+01
DAV: 7 -0.451769388444E+03 -0.44622E+01 -0.12232E+02 1864 0.155E+01 0.198E+01
DAV: 8 -0.445456347137E+03 0.63130E+01 -0.92970E+00 1872 0.985E+00 0.123E+01
DAV: 9 -0.448176550472E+03 -0.27202E+01 -0.32741E+01 2040 0.154E+01 0.259E+01
DAV: 10 -0.444210240493E+03 0.39663E+01 -0.34314E+01 1856 0.520E+00 0.888E+00
DAV: 11 -0.443525703819E+03 0.68454E+00 -0.11982E+00 2008 0.203E+00 0.717E+00
DAV: 12 -0.443500785905E+03 0.24918E-01 -0.20463E+00 1960 0.136E+00 0.909E+00
DAV: 13 -0.443342677249E+03 0.15811E+00 -0.54168E-01 2008 0.797E-01 0.563E+00
DAV: 14 -0.443196453381E+03 0.14622E+00 -0.64721E-01 1976 0.119E+00 0.530E+00
DAV: 15 -0.443134289792E+03 0.62164E-01 -0.19945E-01 1944 0.111E+00 0.496E+00
DAV: 16 -0.443109426961E+03 0.24863E-01 -0.68398E-01 1920 0.701E-01 0.228E+00
DAV: 17 -0.443146407014E+03 -0.36980E-01 -0.32641E-01 1944 0.512E-01 0.915E-01
DAV: 18 -0.443153499187E+03 -0.70922E-02 -0.13739E-02 1824 0.217E-01 0.815E-01
DAV: 19 -0.443166141242E+03 -0.12642E-01 -0.37055E-02 1936 0.242E-01 0.140E+00
DAV: 20 -0.443159673797E+03 0.64674E-02 -0.70988E-02 1976 0.232E-01 0.586E-01
DAV: 21 -0.443162170343E+03 -0.24965E-02 -0.18973E-03 1832 0.885E-02 0.517E-01
DAV: 22 -0.443161572314E+03 0.59803E-03 -0.19332E-04 1848 0.367E-02 0.453E-01
DAV: 23 -0.443162778137E+03 -0.12058E-02 -0.20542E-03 1928 0.129E-01 0.393E-01
DAV: 24 -0.443164195913E+03 -0.14178E-02 -0.19164E-03 2008 0.994E-02 0.188E-01
DAV: 25 -0.443165850330E+03 -0.16544E-02 -0.75512E-04 1832 0.548E-02 0.220E-01
DAV: 26 -0.443166651733E+03 -0.80140E-03 -0.47014E-04 1848 0.412E-02 0.265E-01
DAV: 27 -0.443168118731E+03 -0.14670E-02 -0.49420E-04 1728 0.434E-02 0.279E-01
DAV: 28 -0.443168556073E+03 -0.43734E-03 -0.82740E-04 1864 0.359E-02 0.130E-01
DAV: 29 -0.443169303927E+03 -0.74785E-03 -0.30182E-04 1904 0.515E-02 0.105E-01
DAV: 30 -0.443169362453E+03 -0.58526E-04 -0.16133E-04 1880 0.255E-02 0.703E-02
DAV: 31 -0.443169538831E+03 -0.17638E-03 -0.87300E-05 1728 0.239E-02 0.451E-02
DAV: 32 -0.443169652703E+03 -0.11387E-03 -0.56406E-05 1424 0.133E-02 0.313E-02
DAV: 33 -0.443169728624E+03 -0.75921E-04 -0.35303E-05 1376 0.125E-02 0.317E-02
DAV: 34 -0.443169731647E+03 -0.30236E-05 -0.90959E-06 928 0.565E-03
1 F= -.44316973E+03 E0= -.44314684E+03 d E =-.686664E-01