iterations/neb0_image04_iter55_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 0.209019653817E+04 0.20902E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.141192442468E+03 -0.22314E+04 -0.21435E+04 2136 0.262E+02
DAV: 3 -0.465604061293E+03 -0.32441E+03 -0.32080E+03 1864 0.107E+02
DAV: 4 -0.478076662539E+03 -0.12473E+02 -0.12422E+02 1944 0.224E+01
DAV: 5 -0.478545860337E+03 -0.46920E+00 -0.46895E+00 2160 0.377E+00 0.430E+01
DAV: 6 -0.448173819560E+03 0.30372E+02 -0.14746E+02 2016 0.318E+01 0.383E+01
DAV: 7 -0.454156637792E+03 -0.59828E+01 -0.24914E+02 1896 0.143E+01 0.208E+01
DAV: 8 -0.448119360110E+03 0.60373E+01 -0.91132E+00 1784 0.794E+00 0.130E+01
DAV: 9 -0.446649437979E+03 0.14699E+01 -0.26865E+01 2032 0.121E+01 0.962E+00
DAV: 10 -0.445813515428E+03 0.83592E+00 -0.44586E+00 1880 0.376E+00 0.102E+01
DAV: 11 -0.445069740498E+03 0.74377E+00 -0.81242E-01 1960 0.195E+00 0.714E+00
DAV: 12 -0.444962085488E+03 0.10766E+00 -0.83131E+00 2160 0.390E+00 0.741E+00
DAV: 13 -0.444621314083E+03 0.34077E+00 -0.93678E-01 2056 0.332E+00 0.647E+00
DAV: 14 -0.444261762149E+03 0.35955E+00 -0.10792E+00 1880 0.128E+00 0.165E+00
DAV: 15 -0.444467709829E+03 -0.20595E+00 -0.16441E+00 1904 0.109E+00 0.629E+00
DAV: 16 -0.444316614910E+03 0.15109E+00 -0.24613E-01 1920 0.743E-01 0.454E+00
DAV: 17 -0.444275616342E+03 0.40999E-01 -0.25942E-02 1936 0.282E-01 0.348E+00
DAV: 18 -0.444255632746E+03 0.19984E-01 -0.21427E-01 2288 0.450E-01 0.770E-01
DAV: 19 -0.444301491155E+03 -0.45858E-01 -0.32835E-02 1888 0.382E-01 0.520E-01
DAV: 20 -0.444305761775E+03 -0.42706E-02 -0.98075E-03 1912 0.180E-01 0.287E-01
DAV: 21 -0.444308055521E+03 -0.22937E-02 -0.20199E-03 2016 0.798E-02 0.361E-01
DAV: 22 -0.444310804276E+03 -0.27488E-02 -0.19170E-03 1904 0.917E-02 0.327E-01
DAV: 23 -0.444312200681E+03 -0.13964E-02 -0.11029E-03 2040 0.781E-02 0.161E-01
DAV: 24 -0.444314511112E+03 -0.23104E-02 -0.11726E-03 1784 0.661E-02 0.140E-01
DAV: 25 -0.444315165050E+03 -0.65394E-03 -0.37202E-04 1864 0.360E-02 0.976E-02
DAV: 26 -0.444315604101E+03 -0.43905E-03 -0.82990E-05 1664 0.211E-02 0.931E-02
DAV: 27 -0.444316250687E+03 -0.64659E-03 -0.30963E-04 1688 0.330E-02 0.118E-01
DAV: 28 -0.444316373658E+03 -0.12297E-03 -0.62125E-05 1432 0.185E-02 0.920E-02
DAV: 29 -0.444316378875E+03 -0.52174E-05 -0.57240E-05 1344 0.153E-02
1 F= -.44431638E+03 E0= -.44430317E+03 d E =-.396145E-01