iterations/neb0_image07_iter44_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 0.210153752639E+04 0.21015E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.137764427800E+03 -0.22393E+04 -0.21465E+04 2144 0.262E+02
DAV: 3 -0.464167427162E+03 -0.32640E+03 -0.32126E+03 1880 0.108E+02
DAV: 4 -0.477016790187E+03 -0.12849E+02 -0.12801E+02 1960 0.228E+01
DAV: 5 -0.477498531133E+03 -0.48174E+00 -0.48151E+00 2128 0.385E+00 0.428E+01
DAV: 6 -0.448733200558E+03 0.28765E+02 -0.14859E+02 2056 0.318E+01 0.272E+01
DAV: 7 -0.445840329297E+03 0.28929E+01 -0.26740E+01 1872 0.118E+01 0.129E+01
DAV: 8 -0.446401774995E+03 -0.56145E+00 -0.12789E+01 2016 0.715E+00 0.101E+01
DAV: 9 -0.446284617113E+03 0.11716E+00 -0.52838E+00 2432 0.710E+00 0.631E+00
DAV: 10 -0.445933605890E+03 0.35101E+00 -0.14695E+00 1776 0.243E+00 0.521E+00
DAV: 11 -0.445539582637E+03 0.39402E+00 -0.32868E-01 2336 0.190E+00 0.410E+00
DAV: 12 -0.445317492321E+03 0.22209E+00 -0.22351E+00 2312 0.233E+00 0.255E+00
DAV: 13 -0.445322815444E+03 -0.53231E-02 -0.16442E-01 1920 0.115E+00 0.116E+00
DAV: 14 -0.445315820766E+03 0.69947E-02 -0.27876E-02 1880 0.320E-01 0.863E-01
DAV: 15 -0.445310178827E+03 0.56419E-02 -0.89262E-03 1952 0.303E-01 0.270E-01
DAV: 16 -0.445314269288E+03 -0.40905E-02 -0.45068E-03 1832 0.152E-01 0.198E-01
DAV: 17 -0.445315593516E+03 -0.13242E-02 -0.95587E-04 2080 0.826E-02 0.181E-01
DAV: 18 -0.445317782652E+03 -0.21891E-02 -0.87493E-04 1856 0.103E-01 0.176E-01
DAV: 19 -0.445319209731E+03 -0.14271E-02 -0.65342E-04 1928 0.653E-02 0.808E-02
DAV: 20 -0.445320159347E+03 -0.94962E-03 -0.25839E-04 2040 0.462E-02 0.752E-02
DAV: 21 -0.445321932335E+03 -0.17730E-02 -0.48399E-04 2160 0.672E-02 0.131E-01
DAV: 22 -0.445322214334E+03 -0.28200E-03 -0.13808E-04 1800 0.348E-02 0.543E-02
DAV: 23 -0.445322779976E+03 -0.56564E-03 -0.19232E-04 1832 0.319E-02 0.316E-02
DAV: 24 -0.445322980317E+03 -0.20034E-03 -0.34193E-05 1520 0.164E-02 0.309E-02
DAV: 25 -0.445323036113E+03 -0.55797E-04 -0.35786E-05 1608 0.167E-02 0.256E-02
DAV: 26 -0.445323080264E+03 -0.44150E-04 -0.73476E-06 1072 0.757E-03 0.142E-02
DAV: 27 -0.445323140696E+03 -0.60432E-04 -0.12822E-05 1264 0.864E-03 0.858E-03
DAV: 28 -0.445323151838E+03 -0.11142E-04 -0.31690E-06 936 0.548E-03 0.712E-03
DAV: 29 -0.445323164432E+03 -0.12594E-04 -0.20916E-06 968 0.388E-03 0.632E-03
DAV: 30 -0.445323167626E+03 -0.31940E-05 -0.11307E-06 936 0.275E-03
1 F= -.44532317E+03 E0= -.44531302E+03 d E =-.304350E-01