iterations/neb0_image09_iter50_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 0.209696478761E+04 0.20970E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142915667268E+03 -0.22399E+04 -0.21499E+04 2160 0.262E+02
DAV: 3 -0.466456639440E+03 -0.32354E+03 -0.32020E+03 1840 0.108E+02
DAV: 4 -0.479207746650E+03 -0.12751E+02 -0.12703E+02 1960 0.227E+01
DAV: 5 -0.479666309047E+03 -0.45856E+00 -0.45831E+00 2088 0.379E+00 0.427E+01
DAV: 6 -0.447154374714E+03 0.32512E+02 -0.14256E+02 2016 0.308E+01 0.271E+01
DAV: 7 -0.449083668260E+03 -0.19293E+01 -0.75186E+01 1928 0.111E+01 0.137E+01
DAV: 8 -0.446255033600E+03 0.28286E+01 -0.82310E+00 2424 0.801E+00 0.856E+00
DAV: 9 -0.446809670592E+03 -0.55464E+00 -0.14548E+01 1888 0.391E+00 0.484E+00
DAV: 10 -0.446012068982E+03 0.79760E+00 -0.62561E-01 2112 0.388E+00 0.340E+00
DAV: 11 -0.446129249271E+03 -0.11718E+00 -0.25405E+00 1896 0.167E+00 0.413E+00
DAV: 12 -0.446013338973E+03 0.11591E+00 -0.20782E+00 1952 0.131E+00 0.307E+00
DAV: 13 -0.446048560843E+03 -0.35222E-01 -0.15793E+00 2120 0.946E-01 0.348E+00
DAV: 14 -0.445962431541E+03 0.86129E-01 -0.36810E-01 2016 0.655E-01 0.329E-01
DAV: 15 -0.445972563637E+03 -0.10132E-01 -0.19760E-02 1968 0.267E-01 0.611E-01
DAV: 16 -0.445972261102E+03 0.30254E-03 -0.77996E-03 1864 0.160E-01 0.189E-01
DAV: 17 -0.445974355698E+03 -0.20946E-02 -0.27710E-03 1880 0.101E-01 0.188E-01
DAV: 18 -0.445977491088E+03 -0.31354E-02 -0.56824E-03 2008 0.813E-02 0.379E-01
DAV: 19 -0.445979441484E+03 -0.19504E-02 -0.75914E-03 2184 0.120E-01 0.319E-01
DAV: 20 -0.445980814688E+03 -0.13732E-02 -0.88209E-04 1856 0.552E-02 0.126E-01
DAV: 21 -0.445981739925E+03 -0.92524E-03 -0.51158E-04 1880 0.509E-02 0.266E-02
DAV: 22 -0.445982311009E+03 -0.57108E-03 -0.21836E-04 1864 0.326E-02 0.628E-02
DAV: 23 -0.445982529312E+03 -0.21830E-03 -0.31987E-05 1448 0.143E-02 0.704E-02
DAV: 24 -0.445982635442E+03 -0.10613E-03 -0.74241E-05 1600 0.177E-02 0.810E-03
DAV: 25 -0.445982782028E+03 -0.14659E-03 -0.17147E-05 1152 0.888E-03 0.241E-02
DAV: 26 -0.445982889251E+03 -0.10722E-03 -0.15346E-05 1192 0.645E-03 0.684E-03
DAV: 27 -0.445982913826E+03 -0.24575E-04 -0.23200E-06 944 0.411E-03 0.366E-03
DAV: 28 -0.445982940879E+03 -0.27053E-04 -0.27330E-06 1016 0.396E-03 0.549E-03
DAV: 29 -0.445982949491E+03 -0.86124E-05 -0.74805E-07 936 0.245E-03
1 F= -.44598295E+03 E0= -.44595686E+03 d E =-.782778E-01