iterations/neb0_image08_iter42_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 0.423673253888E+04 0.42367E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428047303301E+03 -0.46648E+04 -0.45659E+04 3357 0.329E+02 DAV: 3 -0.942836182576E+03 -0.51479E+03 -0.51258E+03 3120 0.118E+02 DAV: 4 -0.955117908253E+03 -0.12282E+02 -0.12235E+02 3183 0.196E+01 DAV: 5 -0.955522678867E+03 -0.40477E+00 -0.40424E+00 3219 0.321E+00 0.812E+01 DAV: 6 -0.847553002056E+03 0.10797E+03 -0.47114E+02 3093 0.348E+01 0.376E+01 DAV: 7 -0.846917335447E+03 0.63567E+00 -0.14733E+01 3507 0.643E+00 0.148E+01 DAV: 8 -0.846640034690E+03 0.27730E+00 -0.21519E+00 3156 0.320E+00 0.595E+00 DAV: 9 -0.846504609283E+03 0.13543E+00 -0.59074E-01 3282 0.186E+00 0.134E+00 DAV: 10 -0.846512834419E+03 -0.82251E-02 -0.46017E-01 3534 0.161E+00 0.164E+00 DAV: 11 -0.846478941723E+03 0.33893E-01 -0.16000E-01 3462 0.929E-01 0.112E+00 DAV: 12 -0.846467354365E+03 0.11587E-01 -0.80119E-02 3246 0.537E-01 0.768E-01 DAV: 13 -0.846460870750E+03 0.64836E-02 -0.30398E-02 3111 0.475E-01 0.580E-01 DAV: 14 -0.846455436226E+03 0.54345E-02 -0.28169E-02 3174 0.341E-01 0.315E-01 DAV: 15 -0.846452660245E+03 0.27760E-02 -0.13097E-02 3273 0.346E-01 0.286E-01 DAV: 16 -0.846451936487E+03 0.72376E-03 -0.57852E-03 3147 0.186E-01 0.149E-01 DAV: 17 -0.846452700151E+03 -0.76366E-03 -0.34350E-03 3039 0.168E-01 0.126E-01 DAV: 18 -0.846455243308E+03 -0.25432E-02 -0.21825E-03 3066 0.117E-01 0.736E-02 DAV: 19 -0.846458452558E+03 -0.32092E-02 -0.10666E-03 3075 0.912E-02 0.590E-02 DAV: 20 -0.846461376827E+03 -0.29243E-02 -0.52680E-04 3102 0.575E-02 0.642E-02 DAV: 21 -0.846463128892E+03 -0.17521E-02 -0.26611E-04 3093 0.337E-02 0.257E-02 DAV: 22 -0.846464277125E+03 -0.11482E-02 -0.88212E-05 2958 0.304E-02 0.193E-02 DAV: 23 -0.846464944052E+03 -0.66693E-03 -0.51088E-05 2706 0.190E-02 0.139E-02 DAV: 24 -0.846465166035E+03 -0.22198E-03 -0.15549E-05 1986 0.110E-02 0.650E-03 DAV: 25 -0.846465339813E+03 -0.17378E-03 -0.94127E-06 1959 0.825E-03 0.561E-03 DAV: 26 -0.846465417646E+03 -0.77834E-04 -0.45853E-06 1977 0.731E-03 0.284E-03 DAV: 27 -0.846465447585E+03 -0.29939E-04 -0.50565E-06 1986 0.623E-03 0.259E-03 DAV: 28 -0.846465461186E+03 -0.13601E-04 -0.16868E-06 1959 0.328E-03 0.178E-03 DAV: 29 -0.846465464318E+03 -0.31323E-05 -0.78156E-07 1995 0.184E-03 1 F= -.84646546E+03 E0= -.84651526E+03 d E =0.149382E+00