./iterations/neb0_image05_iter3_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 0.423077673915E+04 0.42308E+04 -0.23859E+05 2892 0.117E+03 DAV: 2 -0.424095463176E+03 -0.46549E+04 -0.45563E+04 3360 0.329E+02 DAV: 3 -0.938585597868E+03 -0.51449E+03 -0.51211E+03 3120 0.118E+02 DAV: 4 -0.950941855606E+03 -0.12356E+02 -0.12310E+02 3192 0.196E+01 DAV: 5 -0.951342867111E+03 -0.40101E+00 -0.40050E+00 3183 0.319E+00 0.816E+01 DAV: 6 -0.841855968715E+03 0.10949E+03 -0.47600E+02 3048 0.349E+01 0.378E+01 DAV: 7 -0.841298257699E+03 0.55771E+00 -0.14708E+01 3480 0.627E+00 0.147E+01 DAV: 8 -0.840937461664E+03 0.36080E+00 -0.98930E-01 3201 0.237E+00 0.605E+00 DAV: 9 -0.840891069666E+03 0.46392E-01 -0.43345E-01 3174 0.159E+00 0.928E-01 DAV: 10 -0.840890344680E+03 0.72499E-03 -0.75663E-02 3183 0.594E-01 0.651E-01 DAV: 11 -0.840888206111E+03 0.21386E-02 -0.10189E-02 3102 0.246E-01 0.332E-01 DAV: 12 -0.840886600494E+03 0.16056E-02 -0.65908E-03 3138 0.251E-01 0.129E-01 DAV: 13 -0.840888051289E+03 -0.14508E-02 -0.48728E-03 3102 0.229E-01 0.124E-01 DAV: 14 -0.840891275976E+03 -0.32247E-02 -0.25538E-03 3057 0.125E-01 0.869E-02 DAV: 15 -0.840894105088E+03 -0.28291E-02 -0.51368E-04 3084 0.501E-02 0.494E-02 DAV: 16 -0.840898418422E+03 -0.43133E-02 -0.96023E-04 3066 0.688E-02 0.363E-02 DAV: 17 -0.840899495155E+03 -0.10767E-02 -0.28226E-04 3093 0.349E-02 0.240E-02 DAV: 18 -0.840900467371E+03 -0.97222E-03 -0.37928E-05 2715 0.174E-02 0.155E-02 DAV: 19 -0.840901220446E+03 -0.75308E-03 -0.47557E-05 2688 0.231E-02 0.708E-03 DAV: 20 -0.840901412250E+03 -0.19180E-03 -0.38068E-05 2733 0.167E-02 0.670E-03 DAV: 21 -0.840901448759E+03 -0.36508E-04 -0.47729E-06 2004 0.477E-03 0.537E-03 DAV: 22 -0.840901468529E+03 -0.19770E-04 -0.20052E-06 1986 0.262E-03 0.294E-03 DAV: 23 -0.840901493089E+03 -0.24560E-04 -0.23109E-06 1986 0.325E-03 0.111E-03 DAV: 24 -0.840901495560E+03 -0.24714E-05 -0.55938E-07 2013 0.152E-03 1 F= -.84090150E+03 E0= -.84090601E+03 d E =0.135476E-01