iterations/neb0_image03_iter28_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 0.209841634447E+04 0.20984E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137348389663E+03 -0.22358E+04 -0.21458E+04 2144 0.262E+02
DAV: 3 -0.464007579450E+03 -0.32666E+03 -0.32145E+03 1872 0.108E+02
DAV: 4 -0.477178831151E+03 -0.13171E+02 -0.13119E+02 1968 0.230E+01
DAV: 5 -0.477655929970E+03 -0.47710E+00 -0.47685E+00 2088 0.385E+00 0.433E+01
DAV: 6 -0.451831300868E+03 0.25825E+02 -0.14670E+02 2024 0.319E+01 0.417E+01
DAV: 7 -0.454243122916E+03 -0.24118E+01 -0.13513E+02 1784 0.146E+01 0.220E+01
DAV: 8 -0.447766654855E+03 0.64765E+01 -0.98355E+00 1856 0.894E+00 0.136E+01
DAV: 9 -0.446563162775E+03 0.12035E+01 -0.15717E+01 2040 0.118E+01 0.120E+01
DAV: 10 -0.445793380257E+03 0.76978E+00 -0.45330E+00 1840 0.371E+00 0.109E+01
DAV: 11 -0.445248293510E+03 0.54509E+00 -0.37319E-01 1992 0.189E+00 0.980E+00
DAV: 12 -0.444609213108E+03 0.63908E+00 -0.83610E+00 2120 0.431E+00 0.103E+01
DAV: 13 -0.444374888881E+03 0.23432E+00 -0.56690E+00 2032 0.358E+00 0.613E+00
DAV: 14 -0.443996968095E+03 0.37792E+00 -0.13705E+00 1872 0.148E+00 0.119E+00
DAV: 15 -0.444030643557E+03 -0.33675E-01 -0.76272E-02 1920 0.621E-01 0.146E+00
DAV: 16 -0.444043213735E+03 -0.12570E-01 -0.23587E-02 1872 0.350E-01 0.143E+00
DAV: 17 -0.444041029096E+03 0.21846E-02 -0.52062E-03 2072 0.195E-01 0.129E+00
DAV: 18 -0.444038743519E+03 0.22856E-02 -0.75906E-03 2008 0.277E-01 0.798E-01
DAV: 19 -0.444042769920E+03 -0.40264E-02 -0.30922E-03 1832 0.141E-01 0.129E-01
DAV: 20 -0.444045803504E+03 -0.30336E-02 -0.66129E-04 1896 0.761E-02 0.241E-01
DAV: 21 -0.444046357378E+03 -0.55387E-03 -0.48138E-04 1904 0.619E-02 0.576E-02
DAV: 22 -0.444047779600E+03 -0.14222E-02 -0.15426E-04 1824 0.335E-02 0.197E-01
DAV: 23 -0.444049331903E+03 -0.15523E-02 -0.49559E-04 1880 0.530E-02 0.119E-01
DAV: 24 -0.444049948334E+03 -0.61643E-03 -0.13258E-04 1776 0.278E-02 0.704E-02
DAV: 25 -0.444050144551E+03 -0.19622E-03 -0.43447E-05 1608 0.194E-02 0.248E-02
DAV: 26 -0.444050371401E+03 -0.22685E-03 -0.71162E-05 1888 0.225E-02 0.542E-02
DAV: 27 -0.444050385845E+03 -0.14444E-04 -0.82659E-06 1056 0.849E-03 0.286E-02
DAV: 28 -0.444050430453E+03 -0.44607E-04 -0.20395E-05 1304 0.128E-02 0.200E-02
DAV: 29 -0.444050455481E+03 -0.25028E-04 -0.35359E-06 952 0.531E-03 0.807E-03
DAV: 30 -0.444050475630E+03 -0.20149E-04 -0.16062E-06 976 0.329E-03 0.206E-03
DAV: 31 -0.444050490378E+03 -0.14749E-04 -0.88568E-07 952 0.278E-03 0.451E-03
DAV: 32 -0.444050506929E+03 -0.16551E-04 -0.76082E-07 1032 0.193E-03 0.179E-03
DAV: 33 -0.444050510403E+03 -0.34738E-05 -0.41658E-07 936 0.218E-03
1 F= -.44405051E+03 E0= -.44403679E+03 d E =-.411485E-01