./iterations/neb0_image05_iter47_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 0.422852415512E+04 0.42285E+04 -0.23877E+05 2901 0.117E+03
DAV: 2 -0.428051610976E+03 -0.46566E+04 -0.45611E+04 3351 0.329E+02
DAV: 3 -0.942175431819E+03 -0.51412E+03 -0.51184E+03 3120 0.117E+02
DAV: 4 -0.954505830028E+03 -0.12330E+02 -0.12283E+02 3174 0.196E+01
DAV: 5 -0.954911689097E+03 -0.40586E+00 -0.40530E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.846870242175E+03 0.10804E+03 -0.46985E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846372502778E+03 0.49774E+00 -0.14587E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.845992691069E+03 0.37981E+00 -0.98452E-01 3165 0.240E+00 0.596E+00
DAV: 9 -0.845894030601E+03 0.98660E-01 -0.43949E-01 3183 0.163E+00 0.933E-01
DAV: 10 -0.845885285154E+03 0.87454E-02 -0.93772E-02 3174 0.856E-01 0.984E-01
DAV: 11 -0.845875013472E+03 0.10272E-01 -0.27785E-02 3525 0.457E-01 0.806E-01
DAV: 12 -0.845861414448E+03 0.13599E-01 -0.11423E-02 3516 0.371E-01 0.687E-01
DAV: 13 -0.845855827909E+03 0.55865E-02 -0.36500E-03 3066 0.221E-01 0.611E-01
DAV: 14 -0.845846196660E+03 0.96312E-02 -0.12196E-02 4335 0.377E-01 0.457E-01
DAV: 15 -0.845840820122E+03 0.53765E-02 -0.73683E-03 3147 0.376E-01 0.378E-01
DAV: 16 -0.845839080205E+03 0.17399E-02 -0.16438E-02 3471 0.312E-01 0.303E-01
DAV: 17 -0.845839138171E+03 -0.57966E-04 -0.65655E-03 3390 0.210E-01 0.257E-01
DAV: 18 -0.845838406843E+03 0.73133E-03 -0.49949E-03 3219 0.212E-01 0.155E-01
DAV: 19 -0.845840552807E+03 -0.21460E-02 -0.33107E-03 3048 0.160E-01 0.167E-01
DAV: 20 -0.845844274263E+03 -0.37215E-02 -0.36920E-03 3327 0.277E-01 0.143E-01
DAV: 21 -0.845845430243E+03 -0.11560E-02 -0.20785E-03 3129 0.897E-02 0.928E-02
DAV: 22 -0.845846565554E+03 -0.11353E-02 -0.34702E-04 3084 0.386E-02 0.658E-02
DAV: 23 -0.845848069439E+03 -0.15039E-02 -0.16210E-04 2958 0.306E-02 0.463E-02
DAV: 24 -0.845849459821E+03 -0.13904E-02 -0.11268E-04 2985 0.356E-02 0.300E-02
DAV: 25 -0.845850008042E+03 -0.54822E-03 -0.15549E-04 2679 0.405E-02 0.423E-02
DAV: 26 -0.845850409639E+03 -0.40160E-03 -0.13069E-04 2859 0.299E-02 0.148E-02
DAV: 27 -0.845850634243E+03 -0.22460E-03 -0.34921E-05 2517 0.127E-02 0.121E-02
DAV: 28 -0.845850679613E+03 -0.45370E-04 -0.64243E-06 2013 0.944E-03 0.702E-03
DAV: 29 -0.845850749055E+03 -0.69442E-04 -0.10691E-05 1950 0.940E-03 0.391E-03
DAV: 30 -0.845850770728E+03 -0.21673E-04 -0.42161E-06 1995 0.474E-03 0.429E-03
DAV: 31 -0.845850783434E+03 -0.12706E-04 -0.13550E-06 1977 0.291E-03 0.159E-03
DAV: 32 -0.845850789843E+03 -0.64085E-05 -0.12702E-06 1995 0.255E-03
1 F= -.84585079E+03 E0= -.84589672E+03 d E =0.137798E+00