iterations/neb0_image02_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 0.208930568997E+04 0.20893E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.141747327912E+03 -0.22311E+04 -0.21435E+04 2144 0.261E+02
DAV: 3 -0.462211221615E+03 -0.32046E+03 -0.31650E+03 1920 0.107E+02
DAV: 4 -0.475751960882E+03 -0.13541E+02 -0.13384E+02 1936 0.227E+01
DAV: 5 -0.476257538756E+03 -0.50558E+00 -0.50522E+00 2168 0.387E+00 0.434E+01
DAV: 6 -0.456236260538E+03 0.20021E+02 -0.17362E+02 2032 0.318E+01 0.408E+01
DAV: 7 -0.452494479184E+03 0.37418E+01 -0.42741E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445494978640E+03 0.69995E+01 -0.97861E+00 1832 0.801E+00 0.129E+01
DAV: 9 -0.448097061761E+03 -0.26021E+01 -0.60065E+01 2080 0.102E+01 0.193E+01
DAV: 10 -0.445887928178E+03 0.22091E+01 -0.18558E+01 1876 0.369E+00 0.990E+00
DAV: 11 -0.445758969644E+03 0.12896E+00 -0.24079E-01 1928 0.894E-01 0.953E+00
DAV: 12 -0.445532566964E+03 0.22640E+00 -0.14547E-01 1920 0.103E+00 0.850E+00
DAV: 13 -0.445323212890E+03 0.20935E+00 -0.97276E-01 1880 0.258E+00 0.593E+00
DAV: 14 -0.445089100165E+03 0.23411E+00 -0.43131E-01 1984 0.162E+00 0.552E+00
DAV: 15 -0.444776544531E+03 0.31256E+00 -0.20960E-01 1960 0.108E+00 0.424E+00
DAV: 16 -0.444653242016E+03 0.12330E+00 -0.55496E-02 1904 0.586E-01 0.387E+00
DAV: 17 -0.444489249312E+03 0.16399E+00 -0.16782E-02 2328 0.566E-01 0.303E+00
DAV: 18 -0.444372018649E+03 0.11723E+00 -0.12163E+00 2176 0.143E+00 0.431E+00
DAV: 19 -0.444290416825E+03 0.81602E-01 -0.55782E-02 1808 0.628E-01 0.119E+00
DAV: 20 -0.444344627722E+03 -0.54211E-01 -0.56429E-02 1832 0.404E-01 0.182E+00
DAV: 21 -0.444304970786E+03 0.39657E-01 -0.25372E-01 2120 0.599E-01 0.432E-01
DAV: 22 -0.444322821168E+03 -0.17850E-01 -0.74601E-03 1880 0.266E-01 0.838E-01
DAV: 23 -0.444321568436E+03 0.12527E-02 -0.48270E-03 1920 0.122E-01 0.118E+00
DAV: 24 -0.444315112905E+03 0.64555E-02 -0.18907E-02 1888 0.125E-01 0.493E-01
DAV: 25 -0.444319456534E+03 -0.43436E-02 -0.14255E-03 1880 0.909E-02 0.234E-01
DAV: 26 -0.444321318123E+03 -0.18616E-02 -0.30979E-04 1968 0.587E-02 0.189E-01
DAV: 27 -0.444323147982E+03 -0.18299E-02 -0.10313E-03 1888 0.858E-02 0.818E-02
DAV: 28 -0.444323731791E+03 -0.58381E-03 -0.35102E-04 2000 0.455E-02 0.203E-01
DAV: 29 -0.444323461186E+03 0.27061E-03 -0.29652E-05 1304 0.141E-02 0.181E-01
DAV: 30 -0.444323489588E+03 -0.28402E-04 -0.43450E-05 1656 0.251E-02 0.797E-02
DAV: 31 -0.444323877705E+03 -0.38812E-03 -0.67851E-05 1848 0.200E-02 0.203E-02
DAV: 32 -0.444324011264E+03 -0.13356E-03 -0.91749E-06 1160 0.777E-03 0.292E-02
DAV: 33 -0.444324066802E+03 -0.55538E-04 -0.36016E-06 1144 0.500E-03 0.381E-02
DAV: 34 -0.444324089500E+03 -0.22698E-04 -0.49636E-06 1088 0.716E-03 0.110E-02
DAV: 35 -0.444324111672E+03 -0.22173E-04 -0.39856E-06 960 0.563E-03 0.666E-03
DAV: 36 -0.444324118471E+03 -0.67984E-05 -0.17552E-06 936 0.319E-03
1 F= -.44432412E+03 E0= -.44431778E+03 d E =-.190222E-01