iterations/neb0_image06_iter8_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422281310492E+04 0.42228E+04 -0.23841E+05 2892 0.117E+03 DAV: 2 -0.423783653312E+03 -0.46466E+04 -0.45495E+04 3369 0.328E+02 DAV: 3 -0.938201302883E+03 -0.51442E+03 -0.51203E+03 3129 0.118E+02 DAV: 4 -0.950607672462E+03 -0.12406E+02 -0.12362E+02 3210 0.196E+01 DAV: 5 -0.950999700429E+03 -0.39203E+00 -0.39154E+00 3183 0.316E+00 0.809E+01 DAV: 6 -0.843364773068E+03 0.10763E+03 -0.47129E+02 3048 0.347E+01 0.375E+01 DAV: 7 -0.842863490370E+03 0.50128E+00 -0.14628E+01 3462 0.626E+00 0.146E+01 DAV: 8 -0.842528272329E+03 0.33522E+00 -0.10960E+00 3210 0.245E+00 0.616E+00 DAV: 9 -0.842488109586E+03 0.40163E-01 -0.47321E-01 3246 0.156E+00 0.132E+00 DAV: 10 -0.842471661047E+03 0.16449E-01 -0.10332E-01 3291 0.648E-01 0.688E-01 DAV: 11 -0.842469749920E+03 0.19111E-02 -0.16705E-02 3129 0.290E-01 0.327E-01 DAV: 12 -0.842467176689E+03 0.25732E-02 -0.59199E-03 3183 0.250E-01 0.133E-01 DAV: 13 -0.842467785619E+03 -0.60893E-03 -0.39594E-03 3066 0.200E-01 0.119E-01 DAV: 14 -0.842470585555E+03 -0.27999E-02 -0.18419E-03 3057 0.115E-01 0.834E-02 DAV: 15 -0.842474265814E+03 -0.36803E-02 -0.69638E-04 3075 0.721E-02 0.373E-02 DAV: 16 -0.842477524676E+03 -0.32589E-02 -0.70657E-04 2976 0.677E-02 0.334E-02 DAV: 17 -0.842479291360E+03 -0.17667E-02 -0.33575E-04 3111 0.419E-02 0.242E-02 DAV: 18 -0.842479892049E+03 -0.60069E-03 -0.45863E-05 2742 0.222E-02 0.145E-02 DAV: 19 -0.842480272122E+03 -0.38007E-03 -0.40192E-05 2724 0.180E-02 0.659E-03 DAV: 20 -0.842480418471E+03 -0.14635E-03 -0.85314E-06 2013 0.858E-03 0.441E-03 DAV: 21 -0.842480496219E+03 -0.77748E-04 -0.48710E-06 2013 0.529E-03 0.242E-03 DAV: 22 -0.842480523488E+03 -0.27269E-04 -0.19787E-06 1986 0.374E-03 0.165E-03 DAV: 23 -0.842480534506E+03 -0.11018E-04 -0.19736E-06 1968 0.386E-03 0.150E-03 DAV: 24 -0.842480535931E+03 -0.14246E-05 -0.76604E-07 2013 0.179E-03 1 F= -.84248054E+03 E0= -.84248440E+03 d E =0.115959E-01