iterations/neb0_image02_iter45_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 0.209743707030E+04 0.20974E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.140884074036E+03 -0.22383E+04 -0.21517E+04 2160 0.262E+02
DAV: 3 -0.461868121236E+03 -0.32098E+03 -0.31729E+03 1888 0.107E+02
DAV: 4 -0.475556387263E+03 -0.13688E+02 -0.13468E+02 1952 0.228E+01
DAV: 5 -0.476070788119E+03 -0.51440E+00 -0.51402E+00 2096 0.390E+00 0.434E+01
DAV: 6 -0.456887704254E+03 0.19183E+02 -0.19598E+02 2040 0.319E+01 0.410E+01
DAV: 7 -0.452173074416E+03 0.47146E+01 -0.42251E+01 1784 0.141E+01 0.220E+01
DAV: 8 -0.445324780662E+03 0.68483E+01 -0.98578E+00 1824 0.794E+00 0.104E+01
DAV: 9 -0.445266368383E+03 0.58412E-01 -0.82917E+00 1912 0.630E+00 0.891E+00
DAV: 10 -0.444531866893E+03 0.73450E+00 -0.82388E-01 1880 0.234E+00 0.637E+00
DAV: 11 -0.446865067019E+03 -0.23332E+01 -0.27496E+01 2008 0.387E+00 0.141E+01
DAV: 12 -0.444198466374E+03 0.26666E+01 -0.98191E-01 2040 0.327E+00 0.288E+00
DAV: 13 -0.444331155282E+03 -0.13269E+00 -0.52216E-01 2024 0.119E+00 0.218E+00
DAV: 14 -0.444366103095E+03 -0.34948E-01 -0.52527E-01 1856 0.608E-01 0.184E+00
DAV: 15 -0.444344719639E+03 0.21383E-01 -0.95110E-03 1904 0.309E-01 0.389E-01
DAV: 16 -0.444353731273E+03 -0.90116E-02 -0.54706E-03 1992 0.189E-01 0.969E-02
DAV: 17 -0.444357150276E+03 -0.34190E-02 -0.17085E-03 1904 0.103E-01 0.219E-01
DAV: 18 -0.444358289826E+03 -0.11396E-02 -0.30085E-04 2056 0.434E-02 0.302E-01
DAV: 19 -0.444359346131E+03 -0.10563E-02 -0.31240E-04 1856 0.510E-02 0.142E-01
DAV: 20 -0.444361832424E+03 -0.24863E-02 -0.65207E-04 1848 0.566E-02 0.100E-01
DAV: 21 -0.444362674045E+03 -0.84162E-03 -0.21257E-04 1864 0.377E-02 0.854E-02
DAV: 22 -0.444363116110E+03 -0.44207E-03 -0.83263E-05 1848 0.262E-02 0.242E-02
DAV: 23 -0.444363626292E+03 -0.51018E-03 -0.77446E-05 1720 0.192E-02 0.148E-02
DAV: 24 -0.444363843768E+03 -0.21748E-03 -0.25442E-05 1456 0.109E-02 0.794E-03
DAV: 25 -0.444363912567E+03 -0.68799E-04 -0.58869E-06 1192 0.585E-03 0.100E-02
DAV: 26 -0.444363952339E+03 -0.39772E-04 -0.38563E-06 1088 0.473E-03 0.833E-03
DAV: 27 -0.444363974010E+03 -0.21671E-04 -0.15934E-06 1024 0.314E-03 0.202E-03
DAV: 28 -0.444363993050E+03 -0.19041E-04 -0.11923E-06 1016 0.253E-03 0.381E-03
DAV: 29 -0.444364001752E+03 -0.87014E-05 -0.75812E-07 992 0.249E-03
1 F= -.44436400E+03 E0= -.44435776E+03 d E =-.187203E-01