./iterations/neb0_image08_iter70_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 0.423707502658E+04 0.42371E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430063818817E+03 -0.46671E+04 -0.45685E+04 3378 0.329E+02
DAV: 3 -0.943031142129E+03 -0.51297E+03 -0.51082E+03 3120 0.117E+02
DAV: 4 -0.955199655216E+03 -0.12169E+02 -0.12124E+02 3183 0.195E+01
DAV: 5 -0.955598380086E+03 -0.39872E+00 -0.39819E+00 3201 0.319E+00 0.813E+01
DAV: 6 -0.847580534486E+03 0.10802E+03 -0.47164E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.846995593349E+03 0.58494E+00 -0.14794E+01 3525 0.634E+00 0.148E+01
DAV: 8 -0.846665678513E+03 0.32991E+00 -0.16711E+00 3183 0.336E+00 0.604E+00
DAV: 9 -0.846601395305E+03 0.64283E-01 -0.80542E-01 3543 0.228E+00 0.155E+00
DAV: 10 -0.846551856004E+03 0.49539E-01 -0.16111E-01 3363 0.105E+00 0.128E+00
DAV: 11 -0.846515327258E+03 0.36529E-01 -0.12537E-01 3534 0.950E-01 0.956E-01
DAV: 12 -0.846514866947E+03 0.46031E-03 -0.11843E-01 3516 0.604E-01 0.717E-01
DAV: 13 -0.846508782860E+03 0.60841E-02 -0.10120E-01 3264 0.664E-01 0.865E-01
DAV: 14 -0.846500489057E+03 0.82938E-02 -0.32039E-02 3516 0.348E-01 0.316E-01
DAV: 15 -0.846498920728E+03 0.15683E-02 -0.14814E-02 3084 0.369E-01 0.351E-01
DAV: 16 -0.846497399116E+03 0.15216E-02 -0.99242E-03 3165 0.203E-01 0.237E-01
DAV: 17 -0.846498009569E+03 -0.61045E-03 -0.50497E-03 3093 0.157E-01 0.187E-01
DAV: 18 -0.846499439081E+03 -0.14295E-02 -0.40182E-03 3291 0.129E-01 0.144E-01
DAV: 19 -0.846502280529E+03 -0.28414E-02 -0.16964E-03 3030 0.115E-01 0.834E-02
DAV: 20 -0.846505479726E+03 -0.31992E-02 -0.10464E-03 3102 0.772E-02 0.560E-02
DAV: 21 -0.846507623698E+03 -0.21440E-02 -0.42669E-04 3129 0.498E-02 0.610E-02
DAV: 22 -0.846509177086E+03 -0.15534E-02 -0.21203E-04 3102 0.389E-02 0.215E-02
DAV: 23 -0.846510038328E+03 -0.86124E-03 -0.96192E-05 2967 0.270E-02 0.185E-02
DAV: 24 -0.846510541907E+03 -0.50358E-03 -0.59499E-05 2544 0.223E-02 0.165E-02
DAV: 25 -0.846510738692E+03 -0.19679E-03 -0.22387E-05 1977 0.112E-02 0.731E-03
DAV: 26 -0.846510869835E+03 -0.13114E-03 -0.12224E-05 2004 0.714E-03 0.750E-03
DAV: 27 -0.846510955409E+03 -0.85574E-04 -0.74010E-06 1959 0.699E-03 0.415E-03
DAV: 28 -0.846510984955E+03 -0.29546E-04 -0.35248E-06 1995 0.478E-03 0.224E-03
DAV: 29 -0.846510996113E+03 -0.11158E-04 -0.16814E-06 1950 0.341E-03 0.153E-03
DAV: 30 -0.846511000693E+03 -0.45796E-05 -0.67936E-07 1995 0.179E-03
1 F= -.84651100E+03 E0= -.84656121E+03 d E =0.150631E+00