iterations/neb0_image07_iter30_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 0.210262704250E+04 0.21026E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138455636393E+03 -0.22411E+04 -0.21524E+04 2152 0.262E+02
DAV: 3 -0.464669738436E+03 -0.32621E+03 -0.32145E+03 1880 0.108E+02
DAV: 4 -0.477365733720E+03 -0.12696E+02 -0.12649E+02 1944 0.227E+01
DAV: 5 -0.477843697933E+03 -0.47796E+00 -0.47767E+00 2104 0.384E+00 0.429E+01
DAV: 6 -0.448337184502E+03 0.29507E+02 -0.14752E+02 2016 0.320E+01 0.272E+01
DAV: 7 -0.445713769028E+03 0.26234E+01 -0.24380E+01 1832 0.114E+01 0.125E+01
DAV: 8 -0.445666346946E+03 0.47422E-01 -0.72315E+00 2000 0.592E+00 0.943E+00
DAV: 9 -0.446868527019E+03 -0.12022E+01 -0.21886E+01 2456 0.722E+00 0.723E+00
DAV: 10 -0.446463185192E+03 0.40534E+00 -0.11810E+00 1848 0.230E+00 0.623E+00
DAV: 11 -0.445443726853E+03 0.10195E+01 -0.11013E+00 2280 0.258E+00 0.432E+00
DAV: 12 -0.445180710285E+03 0.26302E+00 -0.73192E-01 2000 0.181E+00 0.130E+00
DAV: 13 -0.445196545884E+03 -0.15836E-01 -0.86091E-02 1872 0.683E-01 0.100E+00
DAV: 14 -0.445194524949E+03 0.20209E-02 -0.13751E-02 1992 0.289E-01 0.404E-01
DAV: 15 -0.445209739857E+03 -0.15215E-01 -0.20872E-02 2080 0.301E-01 0.102E+00
DAV: 16 -0.445200966121E+03 0.87737E-02 -0.53474E-03 1896 0.296E-01 0.245E-01
DAV: 17 -0.445205394032E+03 -0.44279E-02 -0.73042E-03 1928 0.238E-01 0.539E-01
DAV: 18 -0.445204891102E+03 0.50293E-03 -0.14483E-03 1880 0.828E-02 0.493E-01
DAV: 19 -0.445204052354E+03 0.83875E-03 -0.61026E-04 2176 0.940E-02 0.276E-01
DAV: 20 -0.445207142020E+03 -0.30897E-02 -0.40490E-03 2136 0.202E-01 0.285E-01
DAV: 21 -0.445208464754E+03 -0.13227E-02 -0.11434E-03 1928 0.106E-01 0.124E-01
DAV: 22 -0.445208741078E+03 -0.27632E-03 -0.65537E-04 1832 0.548E-02 0.109E-01
DAV: 23 -0.445208860658E+03 -0.11958E-03 -0.39219E-05 1584 0.172E-02 0.905E-02
DAV: 24 -0.445209640005E+03 -0.77935E-03 -0.14431E-04 1840 0.323E-02 0.913E-02
DAV: 25 -0.445210102648E+03 -0.46264E-03 -0.24321E-04 1832 0.362E-02 0.382E-02
DAV: 26 -0.445210353654E+03 -0.25101E-03 -0.14907E-04 1920 0.344E-02 0.613E-02
DAV: 27 -0.445210538946E+03 -0.18529E-03 -0.93625E-05 1776 0.230E-02 0.662E-02
DAV: 28 -0.445210574838E+03 -0.35892E-04 -0.27815E-05 1496 0.138E-02 0.555E-02
DAV: 29 -0.445210609007E+03 -0.34169E-04 -0.66228E-05 1808 0.189E-02 0.385E-02
DAV: 30 -0.445210611222E+03 -0.22154E-05 -0.56135E-06 936 0.800E-03
1 F= -.44521061E+03 E0= -.44519670E+03 d E =-.417302E-01