iterations/neb0_image05_iter7_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 0.209299175584E+04 0.20930E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.137403259010E+03 -0.22304E+04 -0.21391E+04 2136 0.261E+02
DAV: 3 -0.462666812810E+03 -0.32526E+03 -0.32044E+03 1864 0.107E+02
DAV: 4 -0.475765174288E+03 -0.13098E+02 -0.13039E+02 1952 0.228E+01
DAV: 5 -0.476283726720E+03 -0.51855E+00 -0.51829E+00 2152 0.393E+00 0.431E+01
DAV: 6 -0.447445055878E+03 0.28839E+02 -0.14913E+02 2048 0.318E+01 0.322E+01
DAV: 7 -0.448480038390E+03 -0.10350E+01 -0.13510E+02 1968 0.152E+01 0.180E+01
DAV: 8 -0.444447151373E+03 0.40329E+01 -0.84795E+00 2072 0.108E+01 0.106E+01
DAV: 9 -0.443915399458E+03 0.53175E+00 -0.16501E+01 2064 0.715E+00 0.591E+00
DAV: 10 -0.443664544853E+03 0.25085E+00 -0.32429E+00 1928 0.320E+00 0.621E+00
DAV: 11 -0.443804181736E+03 -0.13964E+00 -0.87249E+00 2248 0.333E+00 0.711E+00
DAV: 12 -0.443512136858E+03 0.29204E+00 -0.31122E+00 1912 0.198E+00 0.284E+00
DAV: 13 -0.443455941369E+03 0.56195E-01 -0.45897E-01 2064 0.963E-01 0.389E+00
DAV: 14 -0.443412807232E+03 0.43134E-01 -0.13939E-01 1944 0.375E-01 0.183E+00
DAV: 15 -0.443418224499E+03 -0.54173E-02 -0.71683E-02 2512 0.601E-01 0.209E+00
DAV: 16 -0.443411382048E+03 0.68425E-02 -0.25467E-02 1936 0.360E-01 0.129E+00
DAV: 17 -0.443419757192E+03 -0.83751E-02 -0.23046E-02 1976 0.239E-01 0.657E-01
DAV: 18 -0.443427497420E+03 -0.77402E-02 -0.55926E-03 1944 0.131E-01 0.521E-01
DAV: 19 -0.443427551220E+03 -0.53800E-04 -0.39267E-03 1936 0.940E-02 0.179E-01
DAV: 20 -0.443431471645E+03 -0.39204E-02 -0.27306E-03 1936 0.102E-01 0.145E-01
DAV: 21 -0.443434015573E+03 -0.25439E-02 -0.93374E-04 1848 0.668E-02 0.105E-01
DAV: 22 -0.443435774920E+03 -0.17593E-02 -0.67727E-04 1984 0.565E-02 0.704E-02
DAV: 23 -0.443436744581E+03 -0.96966E-03 -0.15257E-04 1816 0.259E-02 0.509E-02
DAV: 24 -0.443437208061E+03 -0.46348E-03 -0.11168E-04 1648 0.175E-02 0.740E-02
DAV: 25 -0.443437511710E+03 -0.30365E-03 -0.72772E-05 1400 0.121E-02 0.275E-02
DAV: 26 -0.443437611282E+03 -0.99572E-04 -0.22169E-05 1240 0.760E-03 0.206E-02
DAV: 27 -0.443437711348E+03 -0.10007E-03 -0.13127E-05 1216 0.651E-03 0.124E-02
DAV: 28 -0.443437755783E+03 -0.44435E-04 -0.86181E-06 1088 0.710E-03 0.271E-02
DAV: 29 -0.443437763565E+03 -0.77817E-05 -0.36440E-06 944 0.399E-03
1 F= -.44343776E+03 E0= -.44343709E+03 d E =-.203302E-02