iterations/neb0_image04_iter71_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 0.209110310181E+04 0.20911E+04 -0.11610E+05 1704 0.105E+03
DAV: 2 -0.139014299583E+03 -0.22301E+04 -0.21408E+04 2136 0.262E+02
DAV: 3 -0.464377793988E+03 -0.32536E+03 -0.32083E+03 1848 0.107E+02
DAV: 4 -0.477428588941E+03 -0.13051E+02 -0.13000E+02 1992 0.228E+01
DAV: 5 -0.477877358853E+03 -0.44877E+00 -0.44852E+00 2128 0.372E+00 0.430E+01
DAV: 6 -0.449018623861E+03 0.28859E+02 -0.14858E+02 2008 0.318E+01 0.375E+01
DAV: 7 -0.453236918312E+03 -0.42183E+01 -0.23338E+02 1896 0.154E+01 0.206E+01
DAV: 8 -0.447115752235E+03 0.61212E+01 -0.94270E+00 1784 0.901E+00 0.125E+01
DAV: 9 -0.445971791317E+03 0.11440E+01 -0.21697E+01 1944 0.124E+01 0.108E+01
DAV: 10 -0.445278459267E+03 0.69333E+00 -0.33704E+00 1896 0.369E+00 0.879E+00
DAV: 11 -0.444815582086E+03 0.46288E+00 -0.68543E+00 2160 0.436E+00 0.767E+00
DAV: 12 -0.444945833759E+03 -0.13025E+00 -0.60079E+00 2112 0.352E+00 0.514E+00
DAV: 13 -0.444572325466E+03 0.37351E+00 -0.30203E-01 1952 0.140E+00 0.379E+00
DAV: 14 -0.444476418366E+03 0.95907E-01 -0.16843E+00 2040 0.150E+00 0.248E+00
DAV: 15 -0.444472453755E+03 0.39646E-02 -0.10401E-01 1856 0.628E-01 0.138E+00
DAV: 16 -0.444494591925E+03 -0.22138E-01 -0.29819E-02 2096 0.211E-01 0.256E+00
DAV: 17 -0.444458838445E+03 0.35753E-01 -0.79155E-02 2632 0.440E-01 0.612E-01
DAV: 18 -0.444473014299E+03 -0.14176E-01 -0.38893E-02 1936 0.348E-01 0.834E-01
DAV: 19 -0.444471720238E+03 0.12941E-02 -0.13076E-02 2288 0.270E-01 0.673E-01
DAV: 20 -0.444471749691E+03 -0.29454E-04 -0.27284E-03 1800 0.102E-01 0.475E-01
DAV: 21 -0.444473909877E+03 -0.21602E-02 -0.11309E-03 1896 0.707E-02 0.641E-01
DAV: 22 -0.444473062085E+03 0.84779E-03 -0.12029E-02 1984 0.151E-01 0.137E-01
DAV: 23 -0.444477197629E+03 -0.41355E-02 -0.24265E-03 1920 0.980E-02 0.263E-01
DAV: 24 -0.444477448273E+03 -0.25064E-03 -0.61742E-04 1880 0.612E-02 0.195E-01
DAV: 25 -0.444477598954E+03 -0.15068E-03 -0.15422E-04 1880 0.305E-02 0.142E-01
DAV: 26 -0.444479450720E+03 -0.18518E-02 -0.46115E-04 1800 0.385E-02 0.127E-01
DAV: 27 -0.444479840786E+03 -0.39007E-03 -0.24310E-04 1936 0.285E-02 0.519E-02
DAV: 28 -0.444480147809E+03 -0.30702E-03 -0.44908E-05 1472 0.139E-02 0.646E-02
DAV: 29 -0.444480378777E+03 -0.23097E-03 -0.41285E-05 1352 0.111E-02 0.431E-02
DAV: 30 -0.444480527240E+03 -0.14846E-03 -0.50387E-05 1544 0.140E-02 0.257E-02
DAV: 31 -0.444480556775E+03 -0.29535E-04 -0.21547E-05 1144 0.883E-03 0.101E-02
DAV: 32 -0.444480585689E+03 -0.28914E-04 -0.43335E-06 1032 0.473E-03 0.106E-02
DAV: 33 -0.444480603430E+03 -0.17741E-04 -0.15089E-06 968 0.272E-03 0.294E-03
DAV: 34 -0.444480615552E+03 -0.12122E-04 -0.74034E-07 976 0.163E-03 0.304E-03
DAV: 35 -0.444480619578E+03 -0.40260E-05 -0.35958E-07 912 0.142E-03
1 F= -.44448062E+03 E0= -.44447708E+03 d E =-.106211E-01