iterations/neb0_image08_iter4_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 0.210080873330E+04 0.21008E+04 -0.11614E+05 1704 0.105E+03
DAV: 2 -0.138942494305E+03 -0.22398E+04 -0.21510E+04 2144 0.262E+02
DAV: 3 -0.465161191433E+03 -0.32622E+03 -0.32262E+03 1872 0.108E+02
DAV: 4 -0.477750720634E+03 -0.12590E+02 -0.12540E+02 1952 0.226E+01
DAV: 5 -0.478224405168E+03 -0.47368E+00 -0.47342E+00 2120 0.381E+00 0.431E+01
DAV: 6 -0.447264259167E+03 0.30960E+02 -0.14504E+02 2024 0.315E+01 0.272E+01
DAV: 7 -0.446467526031E+03 0.79673E+00 -0.24757E+01 1952 0.117E+01 0.133E+01
DAV: 8 -0.446717631245E+03 -0.25011E+00 -0.69110E+00 2488 0.839E+00 0.981E+00
DAV: 9 -0.444811296945E+03 0.19063E+01 -0.22279E+00 2128 0.471E+00 0.323E+00
DAV: 10 -0.444868530326E+03 -0.57233E-01 -0.13931E+00 1888 0.271E+00 0.364E+00
DAV: 11 -0.444912864793E+03 -0.44334E-01 -0.21008E+00 2224 0.173E+00 0.348E+00
DAV: 12 -0.444899940724E+03 0.12924E-01 -0.21707E+00 2304 0.134E+00 0.395E+00
DAV: 13 -0.444855217877E+03 0.44723E-01 -0.16751E+00 2544 0.128E+00 0.230E+00
DAV: 14 -0.444837074764E+03 0.18143E-01 -0.42148E-02 1848 0.483E-01 0.134E+00
DAV: 15 -0.444827620970E+03 0.94538E-02 -0.60535E-02 2104 0.414E-01 0.349E-01
DAV: 16 -0.444831185766E+03 -0.35648E-02 -0.87216E-03 1912 0.194E-01 0.139E-01
DAV: 17 -0.444833976986E+03 -0.27912E-02 -0.15251E-03 2080 0.924E-02 0.228E-01
DAV: 18 -0.444835484408E+03 -0.15074E-02 -0.48845E-03 2400 0.943E-02 0.255E-01
DAV: 19 -0.444837398683E+03 -0.19143E-02 -0.18744E-03 1864 0.733E-02 0.326E-02
DAV: 20 -0.444839639251E+03 -0.22406E-02 -0.22026E-03 1944 0.615E-02 0.288E-01
DAV: 21 -0.444840017418E+03 -0.37817E-03 -0.11716E-03 1928 0.555E-02 0.799E-02
DAV: 22 -0.444840734875E+03 -0.71746E-03 -0.39249E-04 1856 0.324E-02 0.273E-02
DAV: 23 -0.444840907600E+03 -0.17272E-03 -0.73002E-05 1560 0.186E-02 0.268E-02
DAV: 24 -0.444841184520E+03 -0.27692E-03 -0.48733E-05 1456 0.128E-02 0.877E-03
DAV: 25 -0.444841246414E+03 -0.61894E-04 -0.67004E-06 1160 0.629E-03 0.562E-03
DAV: 26 -0.444841276237E+03 -0.29823E-04 -0.55068E-06 936 0.544E-03 0.808E-03
DAV: 27 -0.444841305591E+03 -0.29355E-04 -0.51871E-06 1008 0.549E-03 0.145E-02
DAV: 28 -0.444841320531E+03 -0.14939E-04 -0.25091E-06 936 0.286E-03 0.718E-03
DAV: 29 -0.444841338478E+03 -0.17948E-04 -0.33727E-06 1008 0.388E-03 0.390E-03
DAV: 30 -0.444841344506E+03 -0.60281E-05 -0.14740E-06 936 0.322E-03
1 F= -.44484134E+03 E0= -.44482102E+03 d E =-.609869E-01