iterations/neb0_image04_iter70_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 0.423753480051E+04 0.42375E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428975379649E+03 -0.46665E+04 -0.45697E+04 3363 0.329E+02
DAV: 3 -0.942909470231E+03 -0.51393E+03 -0.51171E+03 3120 0.117E+02
DAV: 4 -0.955210074302E+03 -0.12301E+02 -0.12255E+02 3183 0.196E+01
DAV: 5 -0.955615293309E+03 -0.40522E+00 -0.40469E+00 3219 0.321E+00 0.813E+01
DAV: 6 -0.847554843348E+03 0.10806E+03 -0.47043E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847094693110E+03 0.46015E+00 -0.14448E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846762161368E+03 0.33253E+00 -0.96498E-01 3156 0.236E+00 0.594E+00
DAV: 9 -0.846713565719E+03 0.48596E-01 -0.40743E-01 3192 0.151E+00 0.853E-01
DAV: 10 -0.846718810819E+03 -0.52451E-02 -0.73576E-02 3111 0.610E-01 0.594E-01
DAV: 11 -0.846718020145E+03 0.79067E-03 -0.66512E-03 3102 0.212E-01 0.340E-01
DAV: 12 -0.846718387670E+03 -0.36752E-03 -0.71280E-03 3057 0.246E-01 0.119E-01
DAV: 13 -0.846721238931E+03 -0.28513E-02 -0.44100E-03 3156 0.215E-01 0.137E-01
DAV: 14 -0.846725173083E+03 -0.39342E-02 -0.31130E-03 3111 0.147E-01 0.968E-02
DAV: 15 -0.846729720639E+03 -0.45476E-02 -0.11424E-03 3066 0.877E-02 0.351E-02
DAV: 16 -0.846732071702E+03 -0.23511E-02 -0.44494E-04 3102 0.501E-02 0.367E-02
DAV: 17 -0.846733268553E+03 -0.11969E-02 -0.21888E-04 3102 0.365E-02 0.250E-02
DAV: 18 -0.846733976105E+03 -0.70755E-03 -0.29195E-05 2400 0.188E-02 0.141E-02
DAV: 19 -0.846734554897E+03 -0.57879E-03 -0.42472E-05 2670 0.213E-02 0.715E-03
DAV: 20 -0.846734659457E+03 -0.10456E-03 -0.31215E-05 2679 0.140E-02 0.680E-03
DAV: 21 -0.846734702627E+03 -0.43170E-04 -0.35179E-06 1995 0.461E-03 0.607E-03
DAV: 22 -0.846734724302E+03 -0.21675E-04 -0.23766E-06 1977 0.352E-03 0.280E-03
DAV: 23 -0.846734731168E+03 -0.68659E-05 -0.17700E-06 1995 0.292E-03
1 F= -.84673473E+03 E0= -.84673860E+03 d E =0.115958E-01