iterations/neb0_image06_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 0.210251653728E+04 0.21025E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.137193549266E+03 -0.22397E+04 -0.21504E+04 2152 0.262E+02
DAV: 3 -0.462573929753E+03 -0.32538E+03 -0.32032E+03 1912 0.108E+02
DAV: 4 -0.475565039298E+03 -0.12991E+02 -0.12946E+02 1968 0.228E+01
DAV: 5 -0.476010389203E+03 -0.44535E+00 -0.44510E+00 2112 0.375E+00 0.430E+01
DAV: 6 -0.448335038368E+03 0.27675E+02 -0.14971E+02 2056 0.325E+01 0.302E+01
DAV: 7 -0.447252717259E+03 0.10823E+01 -0.92637E+01 1976 0.154E+01 0.169E+01
DAV: 8 -0.445526475657E+03 0.17262E+01 -0.10233E+01 2248 0.116E+01 0.988E+00
DAV: 9 -0.444844176944E+03 0.68230E+00 -0.61605E+00 1880 0.562E+00 0.746E+00
DAV: 10 -0.444311808980E+03 0.53237E+00 -0.20752E+00 1992 0.378E+00 0.274E+00
DAV: 11 -0.444453116014E+03 -0.14131E+00 -0.19227E+00 1944 0.233E+00 0.539E+00
DAV: 12 -0.444423397271E+03 0.29719E-01 -0.40687E+00 2160 0.240E+00 0.331E+00
DAV: 13 -0.444322526817E+03 0.10087E+00 -0.10753E-01 1856 0.892E-01 0.168E+00
DAV: 14 -0.444309965028E+03 0.12562E-01 -0.34219E-02 1992 0.427E-01 0.109E+00
DAV: 15 -0.444303179985E+03 0.67850E-02 -0.54008E-02 2224 0.410E-01 0.250E-01
DAV: 16 -0.444310535191E+03 -0.73552E-02 -0.11804E-02 1968 0.208E-01 0.524E-01
DAV: 17 -0.444309289857E+03 0.12453E-02 -0.15412E-02 1984 0.172E-01 0.906E-02
DAV: 18 -0.444312048387E+03 -0.27585E-02 -0.14463E-03 1888 0.772E-02 0.990E-02
DAV: 19 -0.444313168316E+03 -0.11199E-02 -0.34171E-04 2048 0.405E-02 0.539E-02
DAV: 20 -0.444315516644E+03 -0.23483E-02 -0.57063E-04 1864 0.461E-02 0.644E-02
DAV: 21 -0.444316310163E+03 -0.79352E-03 -0.35972E-04 1880 0.359E-02 0.501E-02
DAV: 22 -0.444316880559E+03 -0.57040E-03 -0.12203E-04 1808 0.223E-02 0.385E-02
DAV: 23 -0.444317332748E+03 -0.45219E-03 -0.83750E-05 1544 0.186E-02 0.131E-02
DAV: 24 -0.444317464144E+03 -0.13140E-03 -0.72251E-05 1832 0.205E-02 0.228E-02
DAV: 25 -0.444317488894E+03 -0.24751E-04 -0.18249E-05 1144 0.108E-02 0.471E-03
DAV: 26 -0.444317511304E+03 -0.22409E-04 -0.87108E-06 1016 0.707E-03 0.532E-03
DAV: 27 -0.444317528211E+03 -0.16907E-04 -0.33015E-06 944 0.452E-03 0.399E-03
DAV: 28 -0.444317545061E+03 -0.16850E-04 -0.17789E-06 1008 0.335E-03 0.277E-03
DAV: 29 -0.444317551926E+03 -0.68650E-05 -0.68920E-07 936 0.214E-03
1 F= -.44431755E+03 E0= -.44430868E+03 d E =-.266218E-01