iterations/neb0_image09_iter47_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 0.209741117910E+04 0.20974E+04 -0.11612E+05 1704 0.105E+03
DAV: 2 -0.142908829402E+03 -0.22403E+04 -0.21503E+04 2160 0.262E+02
DAV: 3 -0.466253830498E+03 -0.32335E+03 -0.31997E+03 1824 0.108E+02
DAV: 4 -0.479239741832E+03 -0.12986E+02 -0.12934E+02 1976 0.229E+01
DAV: 5 -0.479706922883E+03 -0.46718E+00 -0.46691E+00 2096 0.382E+00 0.427E+01
DAV: 6 -0.447142788590E+03 0.32564E+02 -0.14262E+02 2008 0.309E+01 0.272E+01
DAV: 7 -0.449063380600E+03 -0.19206E+01 -0.74862E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446259732188E+03 0.28036E+01 -0.80857E+00 2440 0.799E+00 0.862E+00
DAV: 9 -0.446820882015E+03 -0.56115E+00 -0.14936E+01 1872 0.395E+00 0.484E+00
DAV: 10 -0.445999294199E+03 0.82159E+00 -0.59480E-01 2104 0.391E+00 0.321E+00
DAV: 11 -0.446113471657E+03 -0.11418E+00 -0.23335E+00 1904 0.164E+00 0.407E+00
DAV: 12 -0.446017937735E+03 0.95534E-01 -0.21471E+00 1992 0.128E+00 0.324E+00
DAV: 13 -0.446059946860E+03 -0.42009E-01 -0.18070E+00 2176 0.100E+00 0.372E+00
DAV: 14 -0.445958927560E+03 0.10102E+00 -0.29765E-01 1992 0.664E-01 0.409E-01
DAV: 15 -0.445967382411E+03 -0.84549E-02 -0.22978E-02 2000 0.273E-01 0.314E-01
DAV: 16 -0.445968990673E+03 -0.16083E-02 -0.47952E-03 1872 0.147E-01 0.158E-01
DAV: 17 -0.445970938958E+03 -0.19483E-02 -0.22308E-03 1928 0.101E-01 0.192E-01
DAV: 18 -0.445973544716E+03 -0.26058E-02 -0.31560E-03 1936 0.773E-02 0.295E-01
DAV: 19 -0.445976421912E+03 -0.28772E-02 -0.52686E-03 2216 0.127E-01 0.418E-01
DAV: 20 -0.445977136582E+03 -0.71467E-03 -0.10826E-03 1856 0.615E-02 0.977E-02
DAV: 21 -0.445978329242E+03 -0.11927E-02 -0.57876E-04 1832 0.510E-02 0.322E-02
DAV: 22 -0.445978879474E+03 -0.55023E-03 -0.26549E-04 1936 0.334E-02 0.924E-02
DAV: 23 -0.445979081113E+03 -0.20164E-03 -0.70814E-05 1672 0.179E-02 0.319E-02
DAV: 24 -0.445979264772E+03 -0.18366E-03 -0.45962E-05 1688 0.155E-02 0.170E-02
DAV: 25 -0.445979451632E+03 -0.18686E-03 -0.22283E-05 1288 0.858E-03 0.217E-02
DAV: 26 -0.445979535455E+03 -0.83823E-04 -0.74553E-06 1144 0.526E-03 0.909E-03
DAV: 27 -0.445979563918E+03 -0.28463E-04 -0.31794E-06 952 0.363E-03 0.950E-03
DAV: 28 -0.445979601422E+03 -0.37504E-04 -0.31699E-06 1096 0.370E-03 0.344E-03
DAV: 29 -0.445979609666E+03 -0.82437E-05 -0.55438E-07 936 0.170E-03
1 F= -.44597961E+03 E0= -.44595345E+03 d E =-.784809E-01