iterations/neb0_image03_iter53_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 0.209827279698E+04 0.20983E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.139236174366E+03 -0.22375E+04 -0.21477E+04 2160 0.262E+02
DAV: 3 -0.463969669130E+03 -0.32473E+03 -0.31920E+03 1928 0.107E+02
DAV: 4 -0.476899901505E+03 -0.12930E+02 -0.12887E+02 1960 0.227E+01
DAV: 5 -0.477340300927E+03 -0.44040E+00 -0.44019E+00 2136 0.373E+00 0.432E+01
DAV: 6 -0.453232606780E+03 0.24108E+02 -0.14758E+02 2024 0.318E+01 0.423E+01
DAV: 7 -0.453799909619E+03 -0.56730E+00 -0.83474E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447357111834E+03 0.64428E+01 -0.10002E+01 1864 0.843E+00 0.136E+01
DAV: 9 -0.446994316015E+03 0.36280E+00 -0.20327E+01 2016 0.109E+01 0.119E+01
DAV: 10 -0.446177276973E+03 0.81704E+00 -0.38773E+00 1824 0.347E+00 0.108E+01
DAV: 11 -0.445534760567E+03 0.64252E+00 -0.39601E-01 1912 0.191E+00 0.949E+00
DAV: 12 -0.444798992545E+03 0.73577E+00 -0.41522E+00 2088 0.445E+00 0.111E+01
DAV: 13 -0.444553216806E+03 0.24578E+00 -0.65763E+00 1976 0.365E+00 0.589E+00
DAV: 14 -0.444198449934E+03 0.35477E+00 -0.25582E-01 1816 0.120E+00 0.311E+00
DAV: 15 -0.444170118768E+03 0.28331E-01 -0.69734E-01 1888 0.935E-01 0.305E+00
DAV: 16 -0.444190168912E+03 -0.20050E-01 -0.53788E-02 2032 0.715E-01 0.156E+00
DAV: 17 -0.444182817594E+03 0.73513E-02 -0.16072E-02 1832 0.363E-01 0.104E+00
DAV: 18 -0.444190879486E+03 -0.80619E-02 -0.65659E-03 1872 0.200E-01 0.148E+00
DAV: 19 -0.444183349631E+03 0.75299E-02 -0.90177E-03 2008 0.294E-01 0.848E-01
DAV: 20 -0.444186890008E+03 -0.35404E-02 -0.28306E-03 1824 0.135E-01 0.254E-01
DAV: 21 -0.444188264842E+03 -0.13748E-02 -0.59946E-04 1992 0.594E-02 0.725E-02
DAV: 22 -0.444190021759E+03 -0.17569E-02 -0.21912E-04 1896 0.427E-02 0.117E-01
DAV: 23 -0.444191667606E+03 -0.16458E-02 -0.27625E-04 1816 0.423E-02 0.187E-01
DAV: 24 -0.444192145927E+03 -0.47832E-03 -0.14021E-04 1904 0.316E-02 0.358E-02
DAV: 25 -0.444192718713E+03 -0.57279E-03 -0.85048E-05 1688 0.249E-02 0.553E-02
DAV: 26 -0.444192889231E+03 -0.17052E-03 -0.40335E-05 1632 0.164E-02 0.452E-02
DAV: 27 -0.444192956355E+03 -0.67123E-04 -0.89860E-06 1248 0.781E-03 0.479E-02
DAV: 28 -0.444192979068E+03 -0.22713E-04 -0.81161E-06 1224 0.803E-03 0.753E-03
DAV: 29 -0.444193021251E+03 -0.42184E-04 -0.44841E-06 1048 0.584E-03 0.204E-02
DAV: 30 -0.444193034527E+03 -0.13276E-04 -0.15952E-06 968 0.378E-03 0.493E-03
DAV: 31 -0.444193051332E+03 -0.16805E-04 -0.10659E-06 960 0.257E-03 0.187E-03
DAV: 32 -0.444193059383E+03 -0.80507E-05 -0.40134E-07 944 0.176E-03
1 F= -.44419306E+03 E0= -.44418169E+03 d E =-.341062E-01