iterations/neb0_image02_iter20_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 0.208968375162E+04 0.20897E+04 -0.11608E+05 1704 0.105E+03
DAV: 2 -0.142137352300E+03 -0.22318E+04 -0.21446E+04 2152 0.261E+02
DAV: 3 -0.462620349816E+03 -0.32048E+03 -0.31589E+03 1912 0.107E+02
DAV: 4 -0.476006857613E+03 -0.13387E+02 -0.13317E+02 1928 0.228E+01
DAV: 5 -0.476544286200E+03 -0.53743E+00 -0.53688E+00 2144 0.391E+00 0.434E+01
DAV: 6 -0.455557344653E+03 0.20987E+02 -0.17172E+02 2032 0.318E+01 0.408E+01
DAV: 7 -0.452824867049E+03 0.27325E+01 -0.42354E+01 1776 0.141E+01 0.219E+01
DAV: 8 -0.445872815732E+03 0.69521E+01 -0.98220E+00 1808 0.809E+00 0.132E+01
DAV: 9 -0.448187771978E+03 -0.23150E+01 -0.39413E+01 2096 0.105E+01 0.198E+01
DAV: 10 -0.445921520415E+03 0.22663E+01 -0.18459E+01 1888 0.380E+00 0.102E+01
DAV: 11 -0.445786233998E+03 0.13529E+00 -0.28126E-01 1920 0.968E-01 0.975E+00
DAV: 12 -0.445560451471E+03 0.22578E+00 -0.16719E-01 1928 0.109E+00 0.837E+00
DAV: 13 -0.446212664885E+03 -0.65221E+00 -0.40855E+00 1960 0.323E+00 0.174E+01
DAV: 14 -0.445161753215E+03 0.10509E+01 -0.72886E+00 1920 0.170E+00 0.586E+00
DAV: 15 -0.444817374836E+03 0.34438E+00 -0.11853E-01 2080 0.165E+00 0.425E+00
DAV: 16 -0.444690019703E+03 0.12736E+00 -0.10949E-01 1904 0.759E-01 0.390E+00
DAV: 17 -0.444637216039E+03 0.52804E-01 -0.12230E-02 1920 0.286E-01 0.381E+00
DAV: 18 -0.444526040045E+03 0.11118E+00 -0.31252E+00 2248 0.166E+00 0.896E+00
DAV: 19 -0.444189237272E+03 0.33680E+00 -0.76658E-01 1888 0.719E-01 0.265E+00
DAV: 20 -0.444267637746E+03 -0.78400E-01 -0.18619E-02 1824 0.304E-01 0.264E+00
DAV: 21 -0.444290751137E+03 -0.23113E-01 -0.78030E-03 1984 0.238E-01 0.354E+00
DAV: 22 -0.444260958545E+03 0.29793E-01 -0.44963E-02 1824 0.527E-01 0.105E+00
DAV: 23 -0.444279742987E+03 -0.18784E-01 -0.62741E-03 1848 0.187E-01 0.702E-01
DAV: 24 -0.444285304018E+03 -0.55610E-02 -0.23247E-03 2080 0.126E-01 0.182E-01
DAV: 25 -0.444289367054E+03 -0.40630E-02 -0.88718E-04 1896 0.846E-02 0.353E-01
DAV: 26 -0.444289404577E+03 -0.37523E-04 -0.27676E-04 1832 0.345E-02 0.339E-01
DAV: 27 -0.444290938671E+03 -0.15341E-02 -0.60167E-04 1872 0.823E-02 0.227E-01
DAV: 28 -0.444291856432E+03 -0.91776E-03 -0.33074E-04 1856 0.492E-02 0.167E-01
DAV: 29 -0.444292049576E+03 -0.19314E-03 -0.45718E-04 1912 0.550E-02 0.493E-02
DAV: 30 -0.444292274563E+03 -0.22499E-03 -0.66931E-05 1752 0.182E-02 0.323E-02
DAV: 31 -0.444292490769E+03 -0.21621E-03 -0.57779E-05 1800 0.173E-02 0.207E-02
DAV: 32 -0.444292620503E+03 -0.12973E-03 -0.17070E-05 1368 0.140E-02 0.548E-02
DAV: 33 -0.444292652791E+03 -0.32288E-04 -0.87793E-06 1264 0.854E-03 0.168E-02
DAV: 34 -0.444292676421E+03 -0.23630E-04 -0.56085E-06 1080 0.549E-03 0.942E-03
DAV: 35 -0.444292685037E+03 -0.86156E-05 -0.17064E-06 936 0.356E-03
1 F= -.44429269E+03 E0= -.44428569E+03 d E =-.209741E-01