iterations/neb0_image08_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 0.210089896009E+04 0.21009E+04 -0.11602E+05 1696 0.105E+03
DAV: 2 -0.139815448093E+03 -0.22407E+04 -0.21512E+04 2152 0.262E+02
DAV: 3 -0.466050373207E+03 -0.32623E+03 -0.32292E+03 1856 0.108E+02
DAV: 4 -0.478525185989E+03 -0.12475E+02 -0.12426E+02 1960 0.225E+01
DAV: 5 -0.478987551073E+03 -0.46237E+00 -0.46213E+00 2144 0.380E+00 0.427E+01
DAV: 6 -0.447707462700E+03 0.31280E+02 -0.14465E+02 2008 0.311E+01 0.269E+01
DAV: 7 -0.447615392955E+03 0.92070E-01 -0.31462E+01 1872 0.114E+01 0.134E+01
DAV: 8 -0.447144475091E+03 0.47092E+00 -0.74904E+00 2512 0.834E+00 0.988E+00
DAV: 9 -0.445762001582E+03 0.13825E+01 -0.72771E+00 2048 0.457E+00 0.550E+00
DAV: 10 -0.446364269951E+03 -0.60227E+00 -0.61949E+00 2168 0.428E+00 0.640E+00
DAV: 11 -0.445597353362E+03 0.76692E+00 -0.78695E-01 1992 0.220E+00 0.307E+00
DAV: 12 -0.445608122004E+03 -0.10769E-01 -0.13932E+00 1992 0.148E+00 0.342E+00
DAV: 13 -0.445582810022E+03 0.25312E-01 -0.97164E-01 1984 0.913E-01 0.186E+00
DAV: 14 -0.445585417860E+03 -0.26078E-02 -0.36131E-01 1904 0.553E-01 0.187E+00
DAV: 15 -0.445608840636E+03 -0.23423E-01 -0.28310E-02 1952 0.373E-01 0.265E+00
DAV: 16 -0.445571017643E+03 0.37823E-01 -0.58645E-02 2080 0.286E-01 0.104E+00
DAV: 17 -0.445575840731E+03 -0.48231E-02 -0.52402E-02 2168 0.279E-01 0.624E-01
DAV: 18 -0.445578273404E+03 -0.24327E-02 -0.52196E-03 1824 0.170E-01 0.122E-01
DAV: 19 -0.445579498815E+03 -0.12254E-02 -0.21761E-03 1840 0.948E-02 0.159E-01
DAV: 20 -0.445580511423E+03 -0.10126E-02 -0.47680E-04 2032 0.628E-02 0.143E-01
DAV: 21 -0.445582657527E+03 -0.21461E-02 -0.22869E-03 2232 0.114E-01 0.199E-01
DAV: 22 -0.445584067607E+03 -0.14101E-02 -0.67855E-04 1768 0.567E-02 0.541E-02
DAV: 23 -0.445584780126E+03 -0.71252E-03 -0.55764E-04 1992 0.449E-02 0.923E-02
DAV: 24 -0.445585172084E+03 -0.39196E-03 -0.80919E-05 1752 0.182E-02 0.566E-02
DAV: 25 -0.445585380811E+03 -0.20873E-03 -0.34958E-05 1632 0.147E-02 0.570E-02
DAV: 26 -0.445585442992E+03 -0.62181E-04 -0.56737E-05 1256 0.124E-02 0.696E-03
DAV: 27 -0.445585513292E+03 -0.70300E-04 -0.89073E-06 1064 0.718E-03 0.381E-03
DAV: 28 -0.445585549352E+03 -0.36060E-04 -0.38919E-06 1024 0.346E-03 0.120E-02
DAV: 29 -0.445585572963E+03 -0.23612E-04 -0.19335E-06 984 0.327E-03 0.788E-03
DAV: 30 -0.445585588811E+03 -0.15847E-04 -0.25372E-06 1000 0.327E-03 0.202E-03
DAV: 31 -0.445585591135E+03 -0.23245E-05 -0.41766E-07 936 0.160E-03
1 F= -.44558559E+03 E0= -.44556159E+03 d E =-.719979E-01