./iterations/neb0_image04_iter60_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 0.423706357101E+04 0.42371E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428658190912E+03 -0.46657E+04 -0.45694E+04 3357 0.329E+02
DAV: 3 -0.942746103956E+03 -0.51409E+03 -0.51184E+03 3120 0.117E+02
DAV: 4 -0.955070330044E+03 -0.12324E+02 -0.12278E+02 3183 0.196E+01
DAV: 5 -0.955476735849E+03 -0.40641E+00 -0.40586E+00 3219 0.322E+00 0.813E+01
DAV: 6 -0.847403031987E+03 0.10807E+03 -0.47052E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846945879284E+03 0.45715E+00 -0.14421E+01 3525 0.608E+00 0.146E+01
DAV: 8 -0.846615182690E+03 0.33070E+00 -0.95696E-01 3165 0.235E+00 0.594E+00
DAV: 9 -0.846569770786E+03 0.45412E-01 -0.40631E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.846575536024E+03 -0.57652E-02 -0.73631E-02 3111 0.605E-01 0.599E-01
DAV: 11 -0.846574859942E+03 0.67608E-03 -0.65466E-03 3111 0.206E-01 0.348E-01
DAV: 12 -0.846575436602E+03 -0.57666E-03 -0.72625E-03 3057 0.246E-01 0.120E-01
DAV: 13 -0.846578450163E+03 -0.30136E-02 -0.44331E-03 3246 0.212E-01 0.138E-01
DAV: 14 -0.846582423595E+03 -0.39734E-02 -0.29913E-03 3084 0.145E-01 0.978E-02
DAV: 15 -0.846587102371E+03 -0.46788E-02 -0.11066E-03 3102 0.865E-02 0.342E-02
DAV: 16 -0.846589607707E+03 -0.25053E-02 -0.48945E-04 3084 0.522E-02 0.383E-02
DAV: 17 -0.846590711733E+03 -0.11040E-02 -0.22113E-04 3093 0.375E-02 0.253E-02
DAV: 18 -0.846591392962E+03 -0.68123E-03 -0.31703E-05 2490 0.189E-02 0.134E-02
DAV: 19 -0.846592007103E+03 -0.61414E-03 -0.39433E-05 2661 0.214E-02 0.719E-03
DAV: 20 -0.846592112664E+03 -0.10556E-03 -0.29879E-05 2652 0.136E-02 0.604E-03
DAV: 21 -0.846592158129E+03 -0.45466E-04 -0.30674E-06 1995 0.433E-03 0.544E-03
DAV: 22 -0.846592184093E+03 -0.25964E-04 -0.21452E-06 1977 0.344E-03 0.241E-03
DAV: 23 -0.846592192199E+03 -0.81057E-05 -0.15483E-06 1995 0.296E-03
1 F= -.84659219E+03 E0= -.84659606E+03 d E =0.115959E-01