iterations/neb0_image03_iter36_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 0.209865658652E+04 0.20987E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138956701765E+03 -0.22376E+04 -0.21479E+04 2160 0.262E+02
DAV: 3 -0.464039446634E+03 -0.32508E+03 -0.31965E+03 1896 0.107E+02
DAV: 4 -0.477087649712E+03 -0.13048E+02 -0.12999E+02 1960 0.228E+01
DAV: 5 -0.477552364822E+03 -0.46472E+00 -0.46449E+00 2120 0.381E+00 0.432E+01
DAV: 6 -0.452531960946E+03 0.25020E+02 -0.14702E+02 2032 0.318E+01 0.420E+01
DAV: 7 -0.453998512793E+03 -0.14666E+01 -0.12882E+02 1776 0.146E+01 0.219E+01
DAV: 8 -0.447534797714E+03 0.64637E+01 -0.96715E+00 1848 0.872E+00 0.137E+01
DAV: 9 -0.446854015446E+03 0.68078E+00 -0.15803E+01 2024 0.115E+01 0.120E+01
DAV: 10 -0.446036470531E+03 0.81754E+00 -0.40679E+00 1832 0.360E+00 0.108E+01
DAV: 11 -0.445492264353E+03 0.54421E+00 -0.35363E-01 1944 0.187E+00 0.961E+00
DAV: 12 -0.444183497504E+03 0.13088E+01 -0.21680E+00 2024 0.404E+00 0.655E+00
DAV: 13 -0.444344609407E+03 -0.16111E+00 -0.48089E+00 1936 0.284E+00 0.544E+00
DAV: 14 -0.444076956948E+03 0.26765E+00 -0.90420E-01 1840 0.111E+00 0.141E+00
DAV: 15 -0.444100801396E+03 -0.23844E-01 -0.49848E-02 1880 0.521E-01 0.978E-01
DAV: 16 -0.444135640138E+03 -0.34839E-01 -0.19533E-02 1864 0.376E-01 0.245E+00
DAV: 17 -0.444112170274E+03 0.23470E-01 -0.16749E-02 2104 0.458E-01 0.967E-01
DAV: 18 -0.444120649171E+03 -0.84789E-02 -0.70576E-03 1936 0.248E-01 0.603E-01
DAV: 19 -0.444123422389E+03 -0.27732E-02 -0.48528E-03 1856 0.166E-01 0.488E-01
DAV: 20 -0.444123947939E+03 -0.52555E-03 -0.18906E-03 1848 0.129E-01 0.907E-02
DAV: 21 -0.444125555877E+03 -0.16079E-02 -0.10045E-03 1880 0.710E-02 0.298E-01
DAV: 22 -0.444125882458E+03 -0.32658E-03 -0.20312E-04 1880 0.408E-02 0.455E-02
DAV: 23 -0.444128337774E+03 -0.24553E-02 -0.64790E-04 1912 0.612E-02 0.108E-01
DAV: 24 -0.444128736963E+03 -0.39919E-03 -0.14163E-04 1968 0.308E-02 0.315E-02
DAV: 25 -0.444129081458E+03 -0.34449E-03 -0.64961E-05 1728 0.216E-02 0.442E-02
DAV: 26 -0.444129323948E+03 -0.24249E-03 -0.44219E-05 1872 0.170E-02 0.937E-02
DAV: 27 -0.444129386190E+03 -0.62242E-04 -0.13297E-05 1320 0.101E-02 0.584E-02
DAV: 28 -0.444129455473E+03 -0.69282E-04 -0.18306E-05 1384 0.111E-02 0.237E-02
DAV: 29 -0.444129487045E+03 -0.31572E-04 -0.39955E-06 936 0.541E-03 0.159E-02
DAV: 30 -0.444129508561E+03 -0.21516E-04 -0.24936E-06 936 0.522E-03 0.339E-03
DAV: 31 -0.444129539478E+03 -0.30917E-04 -0.32821E-06 1032 0.531E-03 0.542E-03
DAV: 32 -0.444129549353E+03 -0.98754E-05 -0.94230E-07 936 0.254E-03
1 F= -.44412955E+03 E0= -.44411697E+03 d E =-.377530E-01