./iterations/neb0_image04_iter53_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 0.423807431784E+04 0.42381E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.428656482116E+03 -0.46667E+04 -0.45704E+04 3357 0.329E+02
DAV: 3 -0.942760518608E+03 -0.51410E+03 -0.51186E+03 3120 0.117E+02
DAV: 4 -0.955076994622E+03 -0.12316E+02 -0.12270E+02 3183 0.196E+01
DAV: 5 -0.955482345163E+03 -0.40535E+00 -0.40478E+00 3192 0.321E+00 0.813E+01
DAV: 6 -0.847302039910E+03 0.10818E+03 -0.47067E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846836455537E+03 0.46558E+00 -0.14467E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846505825099E+03 0.33063E+00 -0.96623E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846460049697E+03 0.45775E-01 -0.40824E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.846466106255E+03 -0.60566E-02 -0.74352E-02 3102 0.612E-01 0.601E-01
DAV: 11 -0.846465561068E+03 0.54519E-03 -0.65587E-03 3129 0.208E-01 0.347E-01
DAV: 12 -0.846466229534E+03 -0.66847E-03 -0.72137E-03 3057 0.246E-01 0.120E-01
DAV: 13 -0.846469377845E+03 -0.31483E-02 -0.44195E-03 3237 0.213E-01 0.137E-01
DAV: 14 -0.846473505848E+03 -0.41280E-02 -0.30875E-03 3075 0.148E-01 0.973E-02
DAV: 15 -0.846478125104E+03 -0.46193E-02 -0.11124E-03 3120 0.864E-02 0.342E-02
DAV: 16 -0.846480715142E+03 -0.25900E-02 -0.48324E-04 3084 0.522E-02 0.378E-02
DAV: 17 -0.846481815898E+03 -0.11008E-02 -0.22889E-04 3147 0.382E-02 0.258E-02
DAV: 18 -0.846482466038E+03 -0.65014E-03 -0.31196E-05 2436 0.190E-02 0.141E-02
DAV: 19 -0.846483082093E+03 -0.61605E-03 -0.42594E-05 2670 0.220E-02 0.716E-03
DAV: 20 -0.846483191558E+03 -0.10947E-03 -0.32317E-05 2706 0.142E-02 0.639E-03
DAV: 21 -0.846483238233E+03 -0.46675E-04 -0.33364E-06 1995 0.463E-03 0.560E-03
DAV: 22 -0.846483261807E+03 -0.23574E-04 -0.21770E-06 1995 0.337E-03 0.257E-03
DAV: 23 -0.846483270879E+03 -0.90718E-05 -0.15760E-06 1977 0.298E-03
1 F= -.84648327E+03 E0= -.84648714E+03 d E =0.115959E-01