iterations/neb0_image03_iter4_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 0.209887926241E+04 0.20989E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.136716470280E+03 -0.22356E+04 -0.21463E+04 2144 0.262E+02
DAV: 3 -0.464199113500E+03 -0.32748E+03 -0.32340E+03 1880 0.108E+02
DAV: 4 -0.477010012304E+03 -0.12811E+02 -0.12763E+02 1992 0.227E+01
DAV: 5 -0.477466820676E+03 -0.45681E+00 -0.45657E+00 2076 0.375E+00 0.433E+01
DAV: 6 -0.449147221394E+03 0.28320E+02 -0.14666E+02 2016 0.316E+01 0.411E+01
DAV: 7 -0.454248299885E+03 -0.51011E+01 -0.18893E+02 1816 0.153E+01 0.219E+01
DAV: 8 -0.447887130407E+03 0.63612E+01 -0.98796E+00 1856 0.926E+00 0.136E+01
DAV: 9 -0.445297638200E+03 0.25895E+01 -0.18451E+01 2112 0.122E+01 0.121E+01
DAV: 10 -0.444513359406E+03 0.78428E+00 -0.38764E+00 1896 0.372E+00 0.110E+01
DAV: 11 -0.443895762527E+03 0.61760E+00 -0.41926E-01 2056 0.199E+00 0.101E+01
DAV: 12 -0.444787822431E+03 -0.89206E+00 -0.22438E+01 2144 0.423E+00 0.939E+00
DAV: 13 -0.443253057292E+03 0.15348E+01 -0.67951E-01 1984 0.325E+00 0.321E+00
DAV: 14 -0.443259379471E+03 -0.63222E-02 -0.63783E-01 1856 0.974E-01 0.214E+00
DAV: 15 -0.443641104995E+03 -0.38173E+00 -0.36977E+00 2032 0.121E+00 0.905E+00
DAV: 16 -0.443182835630E+03 0.45827E+00 -0.31748E-01 2024 0.757E-01 0.406E+00
DAV: 17 -0.443238693628E+03 -0.55858E-01 -0.79212E-01 2168 0.734E-01 0.272E+00
DAV: 18 -0.443270490928E+03 -0.31797E-01 -0.10376E-01 1840 0.448E-01 0.139E+00
DAV: 19 -0.443282082544E+03 -0.11592E-01 -0.12719E-02 1904 0.231E-01 0.177E+00
DAV: 20 -0.443269511978E+03 0.12571E-01 -0.51615E-02 2256 0.249E-01 0.791E-01
DAV: 21 -0.443283133438E+03 -0.13621E-01 -0.41675E-03 1808 0.154E-01 0.771E-01
DAV: 22 -0.443280937182E+03 0.21963E-02 -0.25631E-03 1984 0.785E-02 0.230E-01
DAV: 23 -0.443286798568E+03 -0.58614E-02 -0.22480E-03 1848 0.745E-02 0.303E-01
DAV: 24 -0.443287804931E+03 -0.10064E-02 -0.53684E-04 1888 0.544E-02 0.101E-01
DAV: 25 -0.443288955945E+03 -0.11510E-02 -0.20580E-04 1768 0.274E-02 0.160E-01
DAV: 26 -0.443289232110E+03 -0.27616E-03 -0.10768E-04 1720 0.198E-02 0.124E-01
DAV: 27 -0.443289620544E+03 -0.38843E-03 -0.23490E-04 1520 0.181E-02 0.669E-02
DAV: 28 -0.443289840152E+03 -0.21961E-03 -0.68472E-05 1312 0.142E-02 0.261E-02
DAV: 29 -0.443289961521E+03 -0.12137E-03 -0.18309E-05 1232 0.775E-03 0.151E-02
DAV: 30 -0.443290011758E+03 -0.50237E-04 -0.89261E-06 1192 0.608E-03 0.421E-02
DAV: 31 -0.443290003334E+03 0.84246E-05 -0.62201E-06 936 0.466E-03
1 F= -.44329000E+03 E0= -.44327593E+03 d E =-.422201E-01