iterations/neb0_image02_iter23_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 0.209050921853E+04 0.20905E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.142241342252E+03 -0.22328E+04 -0.21456E+04 2152 0.261E+02
DAV: 3 -0.462269058741E+03 -0.32003E+03 -0.31589E+03 1888 0.107E+02
DAV: 4 -0.475913369358E+03 -0.13644E+02 -0.13506E+02 1928 0.228E+01
DAV: 5 -0.476457103999E+03 -0.54373E+00 -0.54330E+00 2144 0.395E+00 0.435E+01
DAV: 6 -0.455919727301E+03 0.20537E+02 -0.17280E+02 2040 0.319E+01 0.408E+01
DAV: 7 -0.452675202064E+03 0.32445E+01 -0.42382E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445675022031E+03 0.70002E+01 -0.98757E+00 1792 0.800E+00 0.134E+01
DAV: 9 -0.448910671073E+03 -0.32356E+01 -0.67926E+01 2064 0.105E+01 0.238E+01
DAV: 10 -0.445819747551E+03 0.30909E+01 -0.41972E+01 1876 0.412E+00 0.103E+01
DAV: 11 -0.445634789913E+03 0.18496E+00 -0.35976E-01 1928 0.111E+00 0.969E+00
DAV: 12 -0.445399309605E+03 0.23548E+00 -0.17050E-01 1928 0.117E+00 0.836E+00
DAV: 13 -0.445466002859E+03 -0.66693E-01 -0.11127E+00 1960 0.330E+00 0.577E+00
DAV: 14 -0.445049366654E+03 0.41664E+00 -0.35862E-01 1928 0.151E+00 0.467E+00
DAV: 15 -0.444912328012E+03 0.13704E+00 -0.10229E-01 1968 0.669E-01 0.389E+00
DAV: 16 -0.444847863495E+03 0.64465E-01 -0.16230E-02 1888 0.328E-01 0.389E+00
DAV: 17 -0.444633266450E+03 0.21460E+00 -0.22406E-02 2384 0.610E-01 0.353E+00
DAV: 18 -0.444403306387E+03 0.22996E+00 -0.65923E-02 2064 0.922E-01 0.264E+00
DAV: 19 -0.444324198318E+03 0.79108E-01 -0.54334E-02 1928 0.718E-01 0.175E+00
DAV: 20 -0.444296114136E+03 0.28084E-01 -0.51685E-02 1928 0.635E-01 0.937E-01
DAV: 21 -0.444298668681E+03 -0.25545E-02 -0.16816E-02 1840 0.262E-01 0.768E-01
DAV: 22 -0.444298583856E+03 0.84825E-04 -0.62334E-03 1904 0.153E-01 0.128E+00
DAV: 23 -0.444287298701E+03 0.11285E-01 -0.40179E-02 2216 0.204E-01 0.360E-01
DAV: 24 -0.444294709810E+03 -0.74111E-02 -0.21376E-03 1880 0.993E-02 0.154E-01
DAV: 25 -0.444296868554E+03 -0.21587E-02 -0.24778E-04 1976 0.444E-02 0.199E-01
DAV: 26 -0.444297835260E+03 -0.96671E-03 -0.33766E-04 1912 0.590E-02 0.131E-01
DAV: 27 -0.444298132692E+03 -0.29743E-03 -0.48407E-04 1984 0.659E-02 0.618E-02
DAV: 28 -0.444298416781E+03 -0.28409E-03 -0.26988E-04 1928 0.365E-02 0.564E-02
DAV: 29 -0.444298838216E+03 -0.42143E-03 -0.47780E-05 1672 0.236E-02 0.137E-01
DAV: 30 -0.444298933997E+03 -0.95782E-04 -0.46564E-05 1624 0.212E-02 0.383E-02
DAV: 31 -0.444299102834E+03 -0.16884E-03 -0.31922E-05 1584 0.144E-02 0.173E-02
DAV: 32 -0.444299210608E+03 -0.10777E-03 -0.13311E-05 1296 0.848E-03 0.312E-02
DAV: 33 -0.444299234247E+03 -0.23639E-04 -0.42115E-06 1104 0.654E-03 0.144E-02
DAV: 34 -0.444299254274E+03 -0.20027E-04 -0.36133E-06 1000 0.448E-03 0.713E-03
DAV: 35 -0.444299272866E+03 -0.18592E-04 -0.20345E-06 1048 0.468E-03 0.767E-03
DAV: 36 -0.444299278903E+03 -0.60364E-05 -0.15939E-06 912 0.298E-03
1 F= -.44429928E+03 E0= -.44429268E+03 d E =-.197896E-01