iterations/neb0_image08_iter61_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 0.423688913317E+04 0.42369E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.428343658532E+03 -0.46652E+04 -0.45661E+04 3369 0.329E+02 DAV: 3 -0.942935177711E+03 -0.51459E+03 -0.51240E+03 3120 0.118E+02 DAV: 4 -0.955186351566E+03 -0.12251E+02 -0.12206E+02 3183 0.196E+01 DAV: 5 -0.955588634904E+03 -0.40228E+00 -0.40174E+00 3183 0.321E+00 0.813E+01 DAV: 6 -0.847617974594E+03 0.10797E+03 -0.47132E+02 3093 0.348E+01 0.377E+01 DAV: 7 -0.846957220263E+03 0.66075E+00 -0.14827E+01 3516 0.650E+00 0.148E+01 DAV: 8 -0.846680653355E+03 0.27657E+00 -0.23364E+00 3174 0.363E+00 0.604E+00 DAV: 9 -0.846549343367E+03 0.13131E+00 -0.73605E-01 3282 0.204E+00 0.153E+00 DAV: 10 -0.846537059283E+03 0.12284E-01 -0.17251E-01 3534 0.139E+00 0.175E+00 DAV: 11 -0.846517635253E+03 0.19424E-01 -0.80225E-02 3714 0.944E-01 0.144E+00 DAV: 12 -0.846509365620E+03 0.82696E-02 -0.12220E-01 3696 0.793E-01 0.872E-01 DAV: 13 -0.846494796291E+03 0.14569E-01 -0.77940E-02 3174 0.621E-01 0.580E-01 DAV: 14 -0.846488637611E+03 0.61587E-02 -0.27081E-02 3183 0.370E-01 0.355E-01 DAV: 15 -0.846489708768E+03 -0.10712E-02 -0.45442E-02 3723 0.539E-01 0.639E-01 DAV: 16 -0.846484347543E+03 0.53612E-02 -0.11894E-02 3048 0.232E-01 0.337E-01 DAV: 17 -0.846484559365E+03 -0.21182E-03 -0.49142E-03 3057 0.144E-01 0.158E-01 DAV: 18 -0.846486199512E+03 -0.16401E-02 -0.18531E-03 3093 0.140E-01 0.103E-01 DAV: 19 -0.846489441908E+03 -0.32424E-02 -0.16466E-03 3066 0.119E-01 0.901E-02 DAV: 20 -0.846492928870E+03 -0.34870E-02 -0.94921E-04 3120 0.852E-02 0.561E-02 DAV: 21 -0.846494673802E+03 -0.17449E-02 -0.32616E-04 3156 0.416E-02 0.391E-02 DAV: 22 -0.846496089069E+03 -0.14153E-02 -0.12873E-04 3084 0.273E-02 0.259E-02 DAV: 23 -0.846497032180E+03 -0.94311E-03 -0.74215E-05 2778 0.217E-02 0.162E-02 DAV: 24 -0.846497425812E+03 -0.39363E-03 -0.30625E-05 2031 0.181E-02 0.137E-02 DAV: 25 -0.846497712956E+03 -0.28714E-03 -0.21724E-05 2121 0.112E-02 0.914E-03 DAV: 26 -0.846497813780E+03 -0.10082E-03 -0.93024E-06 1977 0.824E-03 0.646E-03 DAV: 27 -0.846497854000E+03 -0.40220E-04 -0.55346E-06 1986 0.590E-03 0.340E-03 DAV: 28 -0.846497891454E+03 -0.37453E-04 -0.30389E-06 1950 0.514E-03 0.304E-03 DAV: 29 -0.846497900634E+03 -0.91806E-05 -0.16656E-06 1995 0.289E-03 1 F= -.84649790E+03 E0= -.84654779E+03 d E =0.149663E+00