iterations/neb0_image08_iter9_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 0.210465155936E+04 0.21047E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138674706950E+03 -0.22433E+04 -0.21540E+04 2160 0.262E+02
DAV: 3 -0.465487599157E+03 -0.32681E+03 -0.32331E+03 1872 0.108E+02
DAV: 4 -0.477991479793E+03 -0.12504E+02 -0.12457E+02 1928 0.226E+01
DAV: 5 -0.478486145133E+03 -0.49467E+00 -0.49442E+00 2136 0.389E+00 0.428E+01
DAV: 6 -0.447679110034E+03 0.30807E+02 -0.14488E+02 2024 0.315E+01 0.271E+01
DAV: 7 -0.446768427796E+03 0.91068E+00 -0.24782E+01 1896 0.115E+01 0.134E+01
DAV: 8 -0.447323658219E+03 -0.55523E+00 -0.75673E+00 2496 0.862E+00 0.988E+00
DAV: 9 -0.445315430890E+03 0.20082E+01 -0.22639E+00 2168 0.461E+00 0.463E+00
DAV: 10 -0.446119240051E+03 -0.80381E+00 -0.97980E+00 2120 0.431E+00 0.736E+00
DAV: 11 -0.445214758578E+03 0.90448E+00 -0.80352E-01 2184 0.307E+00 0.154E+00
DAV: 12 -0.445369128579E+03 -0.15437E+00 -0.12971E+00 1912 0.115E+00 0.454E+00
DAV: 13 -0.445291719438E+03 0.77409E-01 -0.23336E+00 2528 0.148E+00 0.268E+00
DAV: 14 -0.445266142559E+03 0.25577E-01 -0.44846E-02 1864 0.557E-01 0.155E+00
DAV: 15 -0.445260098154E+03 0.60444E-02 -0.14005E-01 2128 0.589E-01 0.942E-01
DAV: 16 -0.445259893465E+03 0.20469E-03 -0.21514E-02 1896 0.267E-01 0.313E-01
DAV: 17 -0.445261196054E+03 -0.13026E-02 -0.21109E-03 2016 0.116E-01 0.302E-01
DAV: 18 -0.445262855546E+03 -0.16595E-02 -0.54410E-03 2280 0.141E-01 0.309E-01
DAV: 19 -0.445265072275E+03 -0.22167E-02 -0.12808E-03 1800 0.762E-02 0.118E-01
DAV: 20 -0.445266693682E+03 -0.16214E-02 -0.64639E-04 1984 0.556E-02 0.424E-02
DAV: 21 -0.445267700072E+03 -0.10064E-02 -0.15892E-04 1832 0.291E-02 0.233E-02
DAV: 22 -0.445268818490E+03 -0.11184E-02 -0.14463E-04 1648 0.203E-02 0.173E-02
DAV: 23 -0.445269108923E+03 -0.29043E-03 -0.64950E-05 1592 0.138E-02 0.243E-02
DAV: 24 -0.445269208730E+03 -0.99807E-04 -0.19579E-05 1216 0.851E-03 0.744E-03
DAV: 25 -0.445269278784E+03 -0.70054E-04 -0.52003E-06 1072 0.501E-03 0.423E-03
DAV: 26 -0.445269340060E+03 -0.61276E-04 -0.30450E-06 1096 0.421E-03 0.759E-03
DAV: 27 -0.445269373504E+03 -0.33444E-04 -0.44702E-06 1032 0.408E-03 0.841E-03
DAV: 28 -0.445269384196E+03 -0.10692E-04 -0.10177E-06 936 0.244E-03 0.550E-03
DAV: 29 -0.445269391922E+03 -0.77260E-05 -0.11139E-06 952 0.223E-03
1 F= -.44526939E+03 E0= -.44524927E+03 d E =-.603572E-01