iterations/neb0_image04_iter37_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 0.208991451002E+04 0.20899E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.141740099853E+03 -0.22317E+04 -0.21408E+04 2136 0.262E+02
DAV: 3 -0.466091974725E+03 -0.32435E+03 -0.32092E+03 1864 0.107E+02
DAV: 4 -0.478497263708E+03 -0.12405E+02 -0.12351E+02 1952 0.223E+01
DAV: 5 -0.478964843525E+03 -0.46758E+00 -0.46732E+00 2128 0.379E+00 0.431E+01
DAV: 6 -0.447472352001E+03 0.31492E+02 -0.14606E+02 2048 0.317E+01 0.382E+01
DAV: 7 -0.454579267892E+03 -0.71069E+01 -0.30805E+02 1912 0.137E+01 0.210E+01
DAV: 8 -0.448510678414E+03 0.60686E+01 -0.88245E+00 1792 0.734E+00 0.127E+01
DAV: 9 -0.445916203315E+03 0.25945E+01 -0.19270E+01 2024 0.115E+01 0.927E+00
DAV: 10 -0.445146764966E+03 0.76944E+00 -0.39947E+00 1896 0.355E+00 0.104E+01
DAV: 11 -0.444554859871E+03 0.59191E+00 -0.61718E-01 1920 0.164E+00 0.618E+00
DAV: 12 -0.444958732143E+03 -0.40387E+00 -0.95102E+00 2160 0.373E+00 0.706E+00
DAV: 13 -0.444501759687E+03 0.45697E+00 -0.14105E+00 2080 0.319E+00 0.813E+00
DAV: 14 -0.444319458198E+03 0.18230E+00 -0.44588E-01 1864 0.847E-01 0.655E+00
DAV: 15 -0.444333572628E+03 -0.14114E-01 -0.38162E+00 1992 0.169E+00 0.678E+00
DAV: 16 -0.444164860091E+03 0.16871E+00 -0.12984E-01 1816 0.748E-01 0.543E+00
DAV: 17 -0.444060222046E+03 0.10464E+00 -0.77342E-01 2080 0.967E-01 0.106E+00
DAV: 18 -0.444135001685E+03 -0.74780E-01 -0.52158E-02 1880 0.465E-01 0.968E-01
DAV: 19 -0.444141438970E+03 -0.64373E-02 -0.25170E-02 2072 0.259E-01 0.395E-01
DAV: 20 -0.444148322342E+03 -0.68834E-02 -0.51580E-03 1896 0.138E-01 0.511E-01
DAV: 21 -0.444150711214E+03 -0.23889E-02 -0.92217E-03 2200 0.154E-01 0.311E-01
DAV: 22 -0.444153536388E+03 -0.28252E-02 -0.16399E-03 1752 0.887E-02 0.239E-01
DAV: 23 -0.444155020895E+03 -0.14845E-02 -0.33700E-04 1928 0.453E-02 0.183E-01
DAV: 24 -0.444156919137E+03 -0.18982E-02 -0.19192E-03 1944 0.817E-02 0.844E-02
DAV: 25 -0.444157470642E+03 -0.55150E-03 -0.17194E-04 1880 0.301E-02 0.892E-02
DAV: 26 -0.444158553019E+03 -0.10824E-02 -0.26733E-04 1848 0.352E-02 0.104E-01
DAV: 27 -0.444158654716E+03 -0.10170E-03 -0.22853E-04 1736 0.181E-02 0.737E-02
DAV: 28 -0.444158789199E+03 -0.13448E-03 -0.37405E-05 1344 0.160E-02 0.287E-02
DAV: 29 -0.444158982183E+03 -0.19298E-03 -0.28825E-05 1416 0.128E-02 0.165E-02
DAV: 30 -0.444159030380E+03 -0.48197E-04 -0.52351E-06 1120 0.467E-03 0.106E-02
DAV: 31 -0.444159071022E+03 -0.40642E-04 -0.43435E-06 1072 0.569E-03 0.991E-03
DAV: 32 -0.444159087878E+03 -0.16856E-04 -0.53797E-06 968 0.366E-03 0.817E-03
DAV: 33 -0.444159093114E+03 -0.52358E-05 -0.18465E-06 936 0.243E-03
1 F= -.44415909E+03 E0= -.44413755E+03 d E =-.646256E-01