iterations/neb0_image09_iter31_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 0.209770281869E+04 0.20977E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142585843461E+03 -0.22403E+04 -0.21506E+04 2160 0.262E+02
DAV: 3 -0.466444908405E+03 -0.32386E+03 -0.32051E+03 1840 0.108E+02
DAV: 4 -0.479208046955E+03 -0.12763E+02 -0.12715E+02 1968 0.227E+01
DAV: 5 -0.479666527246E+03 -0.45848E+00 -0.45825E+00 2128 0.379E+00 0.428E+01
DAV: 6 -0.447117053239E+03 0.32549E+02 -0.14302E+02 2024 0.308E+01 0.271E+01
DAV: 7 -0.449036764036E+03 -0.19197E+01 -0.74616E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446228605285E+03 0.28082E+01 -0.81461E+00 2424 0.799E+00 0.863E+00
DAV: 9 -0.446788163959E+03 -0.55956E+00 -0.14828E+01 1880 0.396E+00 0.485E+00
DAV: 10 -0.445971321124E+03 0.81684E+00 -0.60703E-01 2064 0.389E+00 0.323E+00
DAV: 11 -0.446078923944E+03 -0.10760E+00 -0.22817E+00 1896 0.163E+00 0.403E+00
DAV: 12 -0.445998183846E+03 0.80740E-01 -0.22728E+00 1968 0.131E+00 0.341E+00
DAV: 13 -0.446037621441E+03 -0.39438E-01 -0.19712E+00 2224 0.105E+00 0.380E+00
DAV: 14 -0.445930502088E+03 0.10712E+00 -0.30908E-01 2000 0.681E-01 0.433E-01
DAV: 15 -0.445939037480E+03 -0.85354E-02 -0.23709E-02 1992 0.276E-01 0.311E-01
DAV: 16 -0.445940747947E+03 -0.17105E-02 -0.35931E-03 1848 0.142E-01 0.108E-01
DAV: 17 -0.445942902624E+03 -0.21547E-02 -0.16492E-03 1968 0.925E-02 0.163E-01
DAV: 18 -0.445945343015E+03 -0.24404E-02 -0.24835E-03 2000 0.729E-02 0.285E-01
DAV: 19 -0.445948411176E+03 -0.30682E-02 -0.48061E-03 2296 0.132E-01 0.428E-01
DAV: 20 -0.445948922893E+03 -0.51172E-03 -0.14262E-03 1968 0.726E-02 0.596E-02
DAV: 21 -0.445950220459E+03 -0.12976E-02 -0.59208E-04 1784 0.520E-02 0.374E-02
DAV: 22 -0.445950849835E+03 -0.62938E-03 -0.29239E-04 1920 0.331E-02 0.138E-01
DAV: 23 -0.445950997693E+03 -0.14786E-03 -0.15674E-04 1736 0.232E-02 0.212E-02
DAV: 24 -0.445951251580E+03 -0.25389E-03 -0.63586E-05 1704 0.182E-02 0.150E-02
DAV: 25 -0.445951427814E+03 -0.17623E-03 -0.20902E-05 1240 0.857E-03 0.210E-02
DAV: 26 -0.445951503923E+03 -0.76110E-04 -0.60957E-06 1128 0.494E-03 0.215E-02
DAV: 27 -0.445951534260E+03 -0.30336E-04 -0.51024E-06 976 0.457E-03 0.718E-03
DAV: 28 -0.445951569723E+03 -0.35463E-04 -0.20808E-06 1024 0.279E-03 0.350E-03
DAV: 29 -0.445951584308E+03 -0.14585E-04 -0.94578E-07 976 0.166E-03 0.278E-03
DAV: 30 -0.445951589667E+03 -0.53592E-05 -0.40045E-07 936 0.163E-03
1 F= -.44595159E+03 E0= -.44592540E+03 d E =-.785608E-01