iterations/neb0_image08_iter75_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 0.423704309994E+04 0.42370E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.430039463490E+03 -0.46671E+04 -0.45685E+04 3378 0.329E+02 DAV: 3 -0.943023494251E+03 -0.51298E+03 -0.51084E+03 3120 0.117E+02 DAV: 4 -0.955199650899E+03 -0.12176E+02 -0.12132E+02 3192 0.195E+01 DAV: 5 -0.955593489396E+03 -0.39384E+00 -0.39333E+00 3210 0.318E+00 0.813E+01 DAV: 6 -0.847570738552E+03 0.10802E+03 -0.47170E+02 3066 0.348E+01 0.376E+01 DAV: 7 -0.847000667937E+03 0.57007E+00 -0.14784E+01 3525 0.632E+00 0.148E+01 DAV: 8 -0.846665117301E+03 0.33555E+00 -0.15921E+00 3183 0.334E+00 0.602E+00 DAV: 9 -0.846584307126E+03 0.80810E-01 -0.71718E-01 3354 0.214E+00 0.149E+00 DAV: 10 -0.846544748853E+03 0.39558E-01 -0.16389E-01 3561 0.123E+00 0.159E+00 DAV: 11 -0.846523731588E+03 0.21017E-01 -0.10024E-01 3642 0.823E-01 0.108E+00 DAV: 12 -0.846523462695E+03 0.26889E-03 -0.13428E-01 3606 0.629E-01 0.812E-01 DAV: 13 -0.846517277651E+03 0.61850E-02 -0.10125E-01 3696 0.762E-01 0.915E-01 DAV: 14 -0.846507038828E+03 0.10239E-01 -0.38728E-02 3597 0.409E-01 0.345E-01 DAV: 15 -0.846504808569E+03 0.22303E-02 -0.10809E-02 3066 0.331E-01 0.326E-01 DAV: 16 -0.846503435005E+03 0.13736E-02 -0.84966E-03 3246 0.245E-01 0.204E-01 DAV: 17 -0.846504706444E+03 -0.12714E-02 -0.38470E-03 3156 0.149E-01 0.150E-01 DAV: 18 -0.846506258966E+03 -0.15525E-02 -0.25535E-03 3192 0.976E-02 0.119E-01 DAV: 19 -0.846509525748E+03 -0.32668E-02 -0.28497E-03 3165 0.105E-01 0.106E-01 DAV: 20 -0.846511886788E+03 -0.23610E-02 -0.10232E-03 3129 0.700E-02 0.471E-02 DAV: 21 -0.846514147476E+03 -0.22607E-02 -0.43643E-04 3111 0.530E-02 0.606E-02 DAV: 22 -0.846515562079E+03 -0.14146E-02 -0.23587E-04 3102 0.391E-02 0.284E-02 DAV: 23 -0.846516209995E+03 -0.64792E-03 -0.91725E-05 3048 0.246E-02 0.208E-02 DAV: 24 -0.846516718115E+03 -0.50812E-03 -0.93206E-05 2733 0.308E-02 0.206E-02 DAV: 25 -0.846516926580E+03 -0.20846E-03 -0.32991E-05 2301 0.133E-02 0.120E-02 DAV: 26 -0.846517004362E+03 -0.77782E-04 -0.83698E-06 1986 0.652E-03 0.751E-03 DAV: 27 -0.846517096497E+03 -0.92134E-04 -0.66860E-06 1959 0.567E-03 0.396E-03 DAV: 28 -0.846517142382E+03 -0.45885E-04 -0.35578E-06 1977 0.452E-03 0.353E-03 DAV: 29 -0.846517152172E+03 -0.97904E-05 -0.23366E-06 1995 0.389E-03 1 F= -.84651715E+03 E0= -.84656674E+03 d E =0.148772E+00