iterations/neb0_image07_iter71_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 0.210232116676E+04 0.21023E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.139991641933E+03 -0.22423E+04 -0.21530E+04 2160 0.262E+02
DAV: 3 -0.465264678495E+03 -0.32527E+03 -0.32129E+03 1864 0.107E+02
DAV: 4 -0.477971666869E+03 -0.12707E+02 -0.12661E+02 1960 0.227E+01
DAV: 5 -0.478444287808E+03 -0.47262E+00 -0.47237E+00 2104 0.383E+00 0.429E+01
DAV: 6 -0.448417111252E+03 0.30027E+02 -0.14695E+02 2008 0.315E+01 0.271E+01
DAV: 7 -0.446234838173E+03 0.21823E+01 -0.25016E+01 1928 0.115E+01 0.133E+01
DAV: 8 -0.447897194937E+03 -0.16624E+01 -0.38596E+01 2464 0.821E+00 0.981E+00
DAV: 9 -0.445868051552E+03 0.20291E+01 -0.24954E+00 2184 0.467E+00 0.626E+00
DAV: 10 -0.447011723531E+03 -0.11437E+01 -0.22243E+01 2280 0.625E+00 0.887E+00
DAV: 11 -0.445399835988E+03 0.16119E+01 -0.13844E+00 2272 0.419E+00 0.179E+00
DAV: 12 -0.445513620959E+03 -0.11378E+00 -0.71899E-01 1888 0.126E+00 0.339E+00
DAV: 13 -0.445525972566E+03 -0.12352E-01 -0.14120E+00 2640 0.128E+00 0.257E+00
DAV: 14 -0.445475862565E+03 0.50110E-01 -0.34728E-01 2464 0.949E-01 0.139E+00
DAV: 15 -0.445489044451E+03 -0.13182E-01 -0.27484E-02 1808 0.304E-01 0.182E+00
DAV: 16 -0.445470779541E+03 0.18265E-01 -0.52542E-02 2408 0.427E-01 0.523E-01
DAV: 17 -0.445479248913E+03 -0.84694E-02 -0.76114E-03 1880 0.199E-01 0.742E-01
DAV: 18 -0.445477736498E+03 0.15124E-02 -0.10670E-03 2080 0.985E-02 0.555E-01
DAV: 19 -0.445477329678E+03 0.40682E-03 -0.23057E-03 2088 0.141E-01 0.784E-02
DAV: 20 -0.445479898050E+03 -0.25684E-02 -0.11460E-03 1888 0.777E-02 0.120E-01
DAV: 21 -0.445481470127E+03 -0.15721E-02 -0.31508E-04 2008 0.389E-02 0.220E-01
DAV: 22 -0.445481414684E+03 0.55443E-04 -0.60487E-05 1528 0.232E-02 0.127E-01
DAV: 23 -0.445482690420E+03 -0.12757E-02 -0.30295E-04 1784 0.405E-02 0.230E-02
DAV: 24 -0.445483085869E+03 -0.39545E-03 -0.10473E-04 1824 0.238E-02 0.317E-02
DAV: 25 -0.445483166654E+03 -0.80785E-04 -0.21496E-05 1264 0.120E-02 0.234E-02
DAV: 26 -0.445483233565E+03 -0.66911E-04 -0.82071E-06 1104 0.720E-03 0.250E-02
DAV: 27 -0.445483289763E+03 -0.56198E-04 -0.15243E-05 1296 0.117E-02 0.208E-02
DAV: 28 -0.445483324605E+03 -0.34842E-04 -0.62158E-06 1040 0.536E-03 0.159E-02
DAV: 29 -0.445483331657E+03 -0.70521E-05 -0.14912E-06 936 0.438E-03
1 F= -.44548333E+03 E0= -.44546678E+03 d E =-.496568E-01