./iterations/neb0_image07_iter33_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423628014139E+04 0.42363E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.424989523237E+03 -0.46613E+04 -0.45633E+04 3342 0.329E+02
DAV: 3 -0.942297588842E+03 -0.51731E+03 -0.51502E+03 3120 0.118E+02
DAV: 4 -0.954746131037E+03 -0.12449E+02 -0.12402E+02 3201 0.197E+01
DAV: 5 -0.955144543486E+03 -0.39841E+00 -0.39787E+00 3183 0.318E+00 0.812E+01
DAV: 6 -0.847137854368E+03 0.10801E+03 -0.47048E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846654831631E+03 0.48302E+00 -0.14530E+01 3516 0.606E+00 0.146E+01
DAV: 8 -0.846286293922E+03 0.36854E+00 -0.94616E-01 3156 0.235E+00 0.599E+00
DAV: 9 -0.846238663797E+03 0.47630E-01 -0.53278E-01 3471 0.224E+00 0.167E+00
DAV: 10 -0.846197491150E+03 0.41173E-01 -0.12860E-01 3336 0.115E+00 0.143E+00
DAV: 11 -0.846173260094E+03 0.24231E-01 -0.77951E-02 3264 0.775E-01 0.123E+00
DAV: 12 -0.846187990718E+03 -0.14731E-01 -0.16369E-01 3660 0.688E-01 0.171E+00
DAV: 13 -0.846160699338E+03 0.27291E-01 -0.22173E-02 3894 0.802E-01 0.978E-01
DAV: 14 -0.846158208862E+03 0.24905E-02 -0.23310E-02 3120 0.325E-01 0.789E-01
DAV: 15 -0.846148470541E+03 0.97383E-02 -0.96767E-03 3291 0.298E-01 0.600E-01
DAV: 16 -0.846143544276E+03 0.49263E-02 -0.18553E-02 3525 0.326E-01 0.186E-01
DAV: 17 -0.846145640781E+03 -0.20965E-02 -0.80780E-03 3075 0.223E-01 0.407E-01
DAV: 18 -0.846146147807E+03 -0.50703E-03 -0.24552E-03 3102 0.145E-01 0.222E-01
DAV: 19 -0.846148748394E+03 -0.26006E-02 -0.13240E-03 3057 0.938E-02 0.182E-01
DAV: 20 -0.846151077446E+03 -0.23291E-02 -0.13135E-03 3300 0.891E-02 0.659E-02
DAV: 21 -0.846152921485E+03 -0.18440E-02 -0.51429E-04 3192 0.537E-02 0.627E-02
DAV: 22 -0.846155240838E+03 -0.23194E-02 -0.40502E-04 3084 0.419E-02 0.485E-02
DAV: 23 -0.846156364707E+03 -0.11239E-02 -0.17370E-04 3093 0.313E-02 0.314E-02
DAV: 24 -0.846156926951E+03 -0.56224E-03 -0.83472E-05 3084 0.174E-02 0.167E-02
DAV: 25 -0.846157290574E+03 -0.36362E-03 -0.28008E-05 2121 0.176E-02 0.109E-02
DAV: 26 -0.846157530898E+03 -0.24032E-03 -0.25047E-05 2256 0.124E-02 0.711E-03
DAV: 27 -0.846157647575E+03 -0.11668E-03 -0.65006E-06 1968 0.821E-03 0.435E-03
DAV: 28 -0.846157688077E+03 -0.40502E-04 -0.55428E-06 1995 0.622E-03 0.334E-03
DAV: 29 -0.846157698933E+03 -0.10856E-04 -0.20663E-06 1986 0.359E-03 0.286E-03
DAV: 30 -0.846157704488E+03 -0.55544E-05 -0.97289E-07 1995 0.225E-03
1 F= -.84615770E+03 E0= -.84620442E+03 d E =0.140151E+00