iterations/neb0_image02_iter35_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 0.209712925864E+04 0.20971E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139730241074E+03 -0.22369E+04 -0.21495E+04 2152 0.261E+02
DAV: 3 -0.461996650080E+03 -0.32227E+03 -0.31848E+03 1896 0.107E+02
DAV: 4 -0.475689734100E+03 -0.13693E+02 -0.13504E+02 1944 0.227E+01
DAV: 5 -0.476195781373E+03 -0.50605E+00 -0.50560E+00 2120 0.387E+00 0.434E+01
DAV: 6 -0.456517516067E+03 0.19678E+02 -0.19436E+02 2040 0.318E+01 0.409E+01
DAV: 7 -0.452315155502E+03 0.42024E+01 -0.42893E+01 1776 0.141E+01 0.219E+01
DAV: 8 -0.445359518691E+03 0.69556E+01 -0.98424E+00 1824 0.804E+00 0.115E+01
DAV: 9 -0.446512814099E+03 -0.11533E+01 -0.43287E+01 2000 0.856E+00 0.102E+01
DAV: 10 -0.445829165375E+03 0.68365E+00 -0.16980E+00 1856 0.256E+00 0.874E+00
DAV: 11 -0.444682205693E+03 0.11470E+01 -0.13841E+00 2064 0.299E+00 0.536E+00
DAV: 12 -0.446438809229E+03 -0.17566E+01 -0.21664E+01 2016 0.393E+00 0.150E+01
DAV: 13 -0.444184177482E+03 0.22546E+01 -0.12150E+00 2016 0.358E+00 0.259E+00
DAV: 14 -0.444338626207E+03 -0.15445E+00 -0.27283E-01 1944 0.101E+00 0.868E-01
DAV: 15 -0.444338217160E+03 0.40905E-03 -0.17281E-02 1944 0.278E-01 0.103E+00
DAV: 16 -0.444327556224E+03 0.10661E-01 -0.94190E-02 1960 0.337E-01 0.314E-01
DAV: 17 -0.444334611661E+03 -0.70554E-02 -0.10685E-02 1928 0.275E-01 0.165E-01
DAV: 18 -0.444337064862E+03 -0.24532E-02 -0.23202E-03 1904 0.138E-01 0.257E-01
DAV: 19 -0.444337033557E+03 0.31305E-04 -0.16038E-03 1888 0.105E-01 0.995E-02
DAV: 20 -0.444337629854E+03 -0.59630E-03 -0.24067E-04 1960 0.439E-02 0.562E-02
DAV: 21 -0.444339277078E+03 -0.16472E-02 -0.47612E-04 2192 0.647E-02 0.781E-02
DAV: 22 -0.444339856710E+03 -0.57963E-03 -0.12680E-04 2168 0.326E-02 0.516E-02
DAV: 23 -0.444340286812E+03 -0.43010E-03 -0.16759E-04 1792 0.312E-02 0.393E-02
DAV: 24 -0.444340617827E+03 -0.33102E-03 -0.27559E-05 1464 0.151E-02 0.220E-02
DAV: 25 -0.444341243423E+03 -0.62560E-03 -0.92089E-05 1736 0.225E-02 0.298E-02
DAV: 26 -0.444341329924E+03 -0.86501E-04 -0.18192E-05 1384 0.854E-03 0.250E-02
DAV: 27 -0.444341362078E+03 -0.32154E-04 -0.41408E-06 968 0.561E-03 0.172E-02
DAV: 28 -0.444341406444E+03 -0.44366E-04 -0.59865E-06 1168 0.663E-03 0.620E-03
DAV: 29 -0.444341438275E+03 -0.31831E-04 -0.27418E-06 1104 0.386E-03 0.381E-03
DAV: 30 -0.444341449425E+03 -0.11150E-04 -0.23638E-06 936 0.432E-03 0.318E-03
DAV: 31 -0.444341453706E+03 -0.42811E-05 -0.76608E-07 936 0.197E-03
1 F= -.44434145E+03 E0= -.44433523E+03 d E =-.186784E-01