./iterations/neb0_image02_iter21_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 0.423015159944E+04 0.42302E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.431953833945E+03 -0.46621E+04 -0.45620E+04 3375 0.329E+02
DAV: 3 -0.943136117540E+03 -0.51118E+03 -0.50900E+03 3120 0.117E+02
DAV: 4 -0.955295863182E+03 -0.12160E+02 -0.12115E+02 3183 0.195E+01
DAV: 5 -0.955695293520E+03 -0.39943E+00 -0.39889E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847667000968E+03 0.10803E+03 -0.47106E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847208019443E+03 0.45898E+00 -0.14366E+01 3552 0.608E+00 0.146E+01
DAV: 8 -0.846874909274E+03 0.33311E+00 -0.96458E-01 3165 0.239E+00 0.594E+00
DAV: 9 -0.846831649754E+03 0.43260E-01 -0.41302E-01 3192 0.153E+00 0.856E-01
DAV: 10 -0.846838709015E+03 -0.70593E-02 -0.73583E-02 3120 0.610E-01 0.599E-01
DAV: 11 -0.846838683133E+03 0.25881E-04 -0.66382E-03 3111 0.208E-01 0.342E-01
DAV: 12 -0.846839948272E+03 -0.12651E-02 -0.67660E-03 3057 0.244E-01 0.117E-01
DAV: 13 -0.846843248647E+03 -0.33004E-02 -0.43902E-03 3201 0.216E-01 0.133E-01
DAV: 14 -0.846847263109E+03 -0.40145E-02 -0.30280E-03 3102 0.145E-01 0.932E-02
DAV: 15 -0.846851896761E+03 -0.46337E-02 -0.12387E-03 3093 0.887E-02 0.384E-02
DAV: 16 -0.846854098645E+03 -0.22019E-02 -0.38203E-04 3102 0.490E-02 0.375E-02
DAV: 17 -0.846855163511E+03 -0.10649E-02 -0.25668E-04 3111 0.377E-02 0.269E-02
DAV: 18 -0.846855851331E+03 -0.68782E-03 -0.31896E-05 2490 0.204E-02 0.142E-02
DAV: 19 -0.846856424749E+03 -0.57342E-03 -0.43780E-05 2733 0.220E-02 0.710E-03
DAV: 20 -0.846856517608E+03 -0.92859E-04 -0.29494E-05 2625 0.135E-02 0.666E-03
DAV: 21 -0.846856557247E+03 -0.39639E-04 -0.31727E-06 1986 0.421E-03 0.569E-03
DAV: 22 -0.846856581020E+03 -0.23773E-04 -0.22623E-06 1995 0.355E-03 0.253E-03
DAV: 23 -0.846856590887E+03 -0.98669E-05 -0.16570E-06 1977 0.339E-03
1 F= -.84685659E+03 E0= -.84686046E+03 d E =0.115958E-01