iterations/neb0_image01_iter42_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 0.208821186042E+04 0.20882E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140484539737E+03 -0.22287E+04 -0.21397E+04 2136 0.261E+02
DAV: 3 -0.461644324166E+03 -0.32116E+03 -0.31736E+03 1904 0.107E+02
DAV: 4 -0.475407989974E+03 -0.13764E+02 -0.13562E+02 1976 0.228E+01
DAV: 5 -0.475899049976E+03 -0.49106E+00 -0.49074E+00 2128 0.383E+00 0.435E+01
DAV: 6 -0.457402287163E+03 0.18497E+02 -0.19848E+02 2040 0.315E+01 0.411E+01
DAV: 7 -0.451846424630E+03 0.55559E+01 -0.42461E+01 1792 0.138E+01 0.217E+01
DAV: 8 -0.445274252046E+03 0.65722E+01 -0.98683E+00 1808 0.769E+00 0.106E+01
DAV: 9 -0.444703858882E+03 0.57039E+00 -0.41093E+00 1904 0.506E+00 0.807E+00
DAV: 10 -0.444392300936E+03 0.31156E+00 -0.32274E+00 1936 0.223E+00 0.385E+00
DAV: 11 -0.444595072807E+03 -0.20277E+00 -0.19711E+00 2016 0.195E+00 0.507E+00
DAV: 12 -0.444310967882E+03 0.28410E+00 -0.17840E-01 1896 0.106E+00 0.204E+00
DAV: 13 -0.444334659537E+03 -0.23692E-01 -0.50654E-01 2072 0.797E-01 0.223E+00
DAV: 14 -0.444325960709E+03 0.86988E-02 -0.13774E-01 1944 0.589E-01 0.114E+00
DAV: 15 -0.444326559115E+03 -0.59841E-03 -0.61597E-02 1872 0.237E-01 0.157E-01
DAV: 16 -0.444331834350E+03 -0.52752E-02 -0.25220E-03 1912 0.133E-01 0.436E-01
DAV: 17 -0.444332067393E+03 -0.23304E-03 -0.13320E-03 1816 0.900E-02 0.113E-01
DAV: 18 -0.444335044131E+03 -0.29767E-02 -0.58854E-04 1912 0.470E-02 0.760E-02
DAV: 19 -0.444337736423E+03 -0.26923E-02 -0.45271E-04 1920 0.596E-02 0.166E-01
DAV: 20 -0.444338666652E+03 -0.93023E-03 -0.22113E-04 1904 0.327E-02 0.876E-02
DAV: 21 -0.444339317372E+03 -0.65072E-03 -0.10043E-04 1832 0.249E-02 0.493E-02
DAV: 22 -0.444339648858E+03 -0.33149E-03 -0.29376E-05 1488 0.129E-02 0.192E-02
DAV: 23 -0.444339941971E+03 -0.29311E-03 -0.30904E-05 1488 0.136E-02 0.230E-02
DAV: 24 -0.444340022468E+03 -0.80498E-04 -0.16058E-05 1344 0.969E-03 0.174E-02
DAV: 25 -0.444340056206E+03 -0.33738E-04 -0.38684E-06 1032 0.605E-03 0.705E-03
DAV: 26 -0.444340087378E+03 -0.31172E-04 -0.65336E-06 1096 0.672E-03 0.484E-03
DAV: 27 -0.444340097787E+03 -0.10409E-04 -0.12281E-06 936 0.335E-03 0.338E-03
DAV: 28 -0.444340115820E+03 -0.18033E-04 -0.21887E-06 1040 0.397E-03 0.255E-03
DAV: 29 -0.444340120727E+03 -0.49065E-05 -0.51997E-07 936 0.246E-03
1 F= -.44434012E+03 E0= -.44433365E+03 d E =-.193983E-01