./iterations/neb0_image04_iter12_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 0.422494290542E+04 0.42249E+04 -0.23851E+05 2892 0.117E+03 DAV: 2 -0.427913436088E+03 -0.46529E+04 -0.45575E+04 3360 0.329E+02 DAV: 3 -0.940811933075E+03 -0.51290E+03 -0.51061E+03 3120 0.117E+02 DAV: 4 -0.953129497519E+03 -0.12318E+02 -0.12270E+02 3183 0.196E+01 DAV: 5 -0.953536553497E+03 -0.40706E+00 -0.40650E+00 3210 0.321E+00 0.810E+01 DAV: 6 -0.845337789797E+03 0.10820E+03 -0.47235E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.844902134818E+03 0.43565E+00 -0.14342E+01 3534 0.609E+00 0.146E+01 DAV: 8 -0.844581926537E+03 0.32021E+00 -0.95495E-01 3156 0.236E+00 0.597E+00 DAV: 9 -0.844543209049E+03 0.38717E-01 -0.41959E-01 3192 0.150E+00 0.867E-01 DAV: 10 -0.844547335175E+03 -0.41261E-02 -0.65738E-02 3102 0.573E-01 0.594E-01 DAV: 11 -0.844545725841E+03 0.16093E-02 -0.69058E-03 3147 0.213E-01 0.322E-01 DAV: 12 -0.844544575546E+03 0.11503E-02 -0.63528E-03 3120 0.240E-01 0.114E-01 DAV: 13 -0.844546080429E+03 -0.15049E-02 -0.40500E-03 3093 0.211E-01 0.130E-01 DAV: 14 -0.844549415713E+03 -0.33353E-02 -0.26507E-03 3093 0.134E-01 0.872E-02 DAV: 15 -0.844553756029E+03 -0.43403E-02 -0.11653E-03 3048 0.917E-02 0.377E-02 DAV: 16 -0.844555967837E+03 -0.22118E-02 -0.42920E-04 3102 0.502E-02 0.372E-02 DAV: 17 -0.844556938588E+03 -0.97075E-03 -0.22440E-04 3111 0.354E-02 0.260E-02 DAV: 18 -0.844557660145E+03 -0.72156E-03 -0.35870E-05 2589 0.196E-02 0.125E-02 DAV: 19 -0.844558210557E+03 -0.55041E-03 -0.37054E-05 2616 0.199E-02 0.706E-03 DAV: 20 -0.844558317957E+03 -0.10740E-03 -0.29924E-05 2634 0.139E-02 0.627E-03 DAV: 21 -0.844558358701E+03 -0.40744E-04 -0.33699E-06 1986 0.409E-03 0.533E-03 DAV: 22 -0.844558380496E+03 -0.21795E-04 -0.19988E-06 1995 0.287E-03 0.245E-03 DAV: 23 -0.844558397602E+03 -0.17107E-04 -0.15973E-06 1995 0.315E-03 0.953E-04 DAV: 24 -0.844558398898E+03 -0.12958E-05 -0.54132E-07 2031 0.152E-03 1 F= -.84455840E+03 E0= -.84456316E+03 d E =0.142791E-01