iterations/neb0_image02_iter24_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 0.209067296085E+04 0.20907E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.142281751763E+03 -0.22330E+04 -0.21458E+04 2152 0.261E+02
DAV: 3 -0.462189980812E+03 -0.31991E+03 -0.31590E+03 1888 0.107E+02
DAV: 4 -0.475860442594E+03 -0.13670E+02 -0.13525E+02 1944 0.228E+01
DAV: 5 -0.476396329903E+03 -0.53589E+00 -0.53551E+00 2152 0.394E+00 0.435E+01
DAV: 6 -0.456079439761E+03 0.20317E+02 -0.17330E+02 2024 0.319E+01 0.408E+01
DAV: 7 -0.452560028447E+03 0.35194E+01 -0.42531E+01 1776 0.140E+01 0.220E+01
DAV: 8 -0.445532649550E+03 0.70274E+01 -0.98265E+00 1848 0.797E+00 0.133E+01
DAV: 9 -0.448899403900E+03 -0.33668E+01 -0.67837E+01 2080 0.104E+01 0.241E+01
DAV: 10 -0.445753611052E+03 0.31458E+01 -0.43798E+01 1868 0.407E+00 0.101E+01
DAV: 11 -0.445569654584E+03 0.18396E+00 -0.33286E-01 1944 0.109E+00 0.960E+00
DAV: 12 -0.445335529562E+03 0.23413E+00 -0.15902E-01 1984 0.113E+00 0.836E+00
DAV: 13 -0.445368144834E+03 -0.32615E-01 -0.10594E+00 1960 0.320E+00 0.532E+00
DAV: 14 -0.445036042227E+03 0.33210E+00 -0.34610E-01 1960 0.145E+00 0.474E+00
DAV: 15 -0.444855533748E+03 0.18051E+00 -0.91277E-02 1984 0.760E-01 0.407E+00
DAV: 16 -0.444768093400E+03 0.87440E-01 -0.25725E-02 1864 0.417E-01 0.382E+00
DAV: 17 -0.444540210286E+03 0.22788E+00 -0.27308E-02 2392 0.664E-01 0.344E+00
DAV: 18 -0.444381166683E+03 0.15904E+00 -0.39022E-02 2080 0.716E-01 0.259E+00
DAV: 19 -0.444299590528E+03 0.81576E-01 -0.74114E-02 2000 0.748E-01 0.185E+00
DAV: 20 -0.444271707372E+03 0.27883E-01 -0.68552E-02 1904 0.764E-01 0.102E+00
DAV: 21 -0.444269095579E+03 0.26118E-02 -0.19203E-02 1832 0.268E-01 0.304E-01
DAV: 22 -0.444276552555E+03 -0.74570E-02 -0.10136E-02 1904 0.164E-01 0.100E+00
DAV: 23 -0.444267787966E+03 0.87646E-02 -0.55565E-03 2016 0.152E-01 0.690E-01
DAV: 24 -0.444270034334E+03 -0.22464E-02 -0.28238E-03 1832 0.129E-01 0.202E-01
DAV: 25 -0.444272827192E+03 -0.27929E-02 -0.37639E-04 1912 0.423E-02 0.179E-01
DAV: 26 -0.444273937627E+03 -0.11104E-02 -0.29116E-04 1896 0.469E-02 0.126E-01
DAV: 27 -0.444274906594E+03 -0.96897E-03 -0.22080E-04 1920 0.328E-02 0.780E-02
DAV: 28 -0.444275560711E+03 -0.65412E-03 -0.29078E-04 1976 0.495E-02 0.146E-01
DAV: 29 -0.444275642604E+03 -0.81893E-04 -0.10986E-04 1784 0.227E-02 0.111E-01
DAV: 30 -0.444275654661E+03 -0.12057E-04 -0.18344E-05 1320 0.127E-02 0.112E-01
DAV: 31 -0.444275908534E+03 -0.25387E-03 -0.66070E-05 1912 0.272E-02 0.268E-02
DAV: 32 -0.444276048354E+03 -0.13982E-03 -0.24374E-05 1552 0.136E-02 0.310E-02
DAV: 33 -0.444276074003E+03 -0.25649E-04 -0.87852E-06 1000 0.731E-03 0.217E-02
DAV: 34 -0.444276097582E+03 -0.23579E-04 -0.89481E-06 1152 0.787E-03 0.103E-02
DAV: 35 -0.444276122863E+03 -0.25281E-04 -0.56415E-06 1088 0.685E-03 0.476E-03
DAV: 36 -0.444276129998E+03 -0.71346E-05 -0.27242E-06 928 0.396E-03
1 F= -.44427613E+03 E0= -.44426967E+03 d E =-.193750E-01