iterations/neb0_image05_iter8_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 0.209202891941E+04 0.20920E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.137711712606E+03 -0.22297E+04 -0.21384E+04 2136 0.261E+02
DAV: 3 -0.462838739479E+03 -0.32513E+03 -0.32025E+03 1880 0.107E+02
DAV: 4 -0.475894705605E+03 -0.13056E+02 -0.13000E+02 1960 0.227E+01
DAV: 5 -0.476389378847E+03 -0.49467E+00 -0.49440E+00 2128 0.385E+00 0.430E+01
DAV: 6 -0.447994625871E+03 0.28395E+02 -0.14916E+02 2048 0.321E+01 0.333E+01
DAV: 7 -0.449423513056E+03 -0.14289E+01 -0.16295E+02 2024 0.159E+01 0.187E+01
DAV: 8 -0.444838784485E+03 0.45847E+01 -0.91294E+00 1976 0.110E+01 0.112E+01
DAV: 9 -0.444426450893E+03 0.41233E+00 -0.20715E+01 2040 0.781E+00 0.703E+00
DAV: 10 -0.444715010144E+03 -0.28856E+00 -0.12121E+01 2016 0.446E+00 0.911E+00
DAV: 11 -0.444410600628E+03 0.30441E+00 -0.57660E-01 1832 0.144E+00 0.827E+00
DAV: 12 -0.443725835538E+03 0.68477E+00 -0.10581E+00 2296 0.248E+00 0.310E+00
DAV: 13 -0.444033093385E+03 -0.30726E+00 -0.33775E+00 1848 0.220E+00 0.733E+00
DAV: 14 -0.443765057921E+03 0.26804E+00 -0.16318E+00 2128 0.122E+00 0.200E+00
DAV: 15 -0.443766583619E+03 -0.15257E-02 -0.21049E-01 1960 0.110E+00 0.119E+00
DAV: 16 -0.443768206777E+03 -0.16232E-02 -0.86271E-02 1984 0.442E-01 0.233E+00
DAV: 17 -0.443756815734E+03 0.11391E-01 -0.57714E-03 1784 0.168E-01 0.238E+00
DAV: 18 -0.443749437049E+03 0.73787E-02 -0.36487E-04 2408 0.321E-02 0.219E+00
DAV: 19 -0.443747054902E+03 0.23821E-02 -0.85066E-03 1880 0.208E-01 0.138E+00
DAV: 20 -0.443767037284E+03 -0.19982E-01 -0.21450E-02 2216 0.272E-01 0.262E+00
DAV: 21 -0.443751456258E+03 0.15581E-01 -0.58848E-03 1840 0.131E-01 0.186E+00
DAV: 22 -0.443761014409E+03 -0.95582E-02 -0.10557E-02 2104 0.148E-01 0.109E+00
DAV: 23 -0.443775007693E+03 -0.13993E-01 -0.75089E-03 1920 0.123E-01 0.946E-01
DAV: 24 -0.443775927939E+03 -0.92025E-03 -0.25409E-03 2000 0.109E-01 0.937E-01
DAV: 25 -0.443772834663E+03 0.30933E-02 -0.56290E-04 1864 0.538E-02 0.873E-01
DAV: 26 -0.443771254820E+03 0.15798E-02 -0.91152E-04 1896 0.708E-02 0.768E-01
DAV: 27 -0.443770696149E+03 0.55867E-03 -0.29682E-03 1872 0.122E-01 0.684E-01
DAV: 28 -0.443770302622E+03 0.39353E-03 -0.65803E-04 1912 0.523E-02 0.612E-01
DAV: 29 -0.443770238632E+03 0.63990E-04 -0.57831E-04 1848 0.487E-02 0.516E-01
DAV: 30 -0.443771173280E+03 -0.93465E-03 -0.61256E-05 1728 0.171E-02 0.520E-01
DAV: 31 -0.443771180222E+03 -0.69421E-05 -0.18799E-05 1080 0.112E-02
1 F= -.44377118E+03 E0= -.44377629E+03 d E =0.153243E-01