iterations/neb0_image09_iter52_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 0.423664274627E+04 0.42366E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.427752990195E+03 -0.46644E+04 -0.45643E+04 3366 0.329E+02 DAV: 3 -0.942942656795E+03 -0.51519E+03 -0.51302E+03 3120 0.118E+02 DAV: 4 -0.955241222089E+03 -0.12299E+02 -0.12253E+02 3183 0.196E+01 DAV: 5 -0.955645505725E+03 -0.40428E+00 -0.40375E+00 3192 0.321E+00 0.813E+01 DAV: 6 -0.847656127261E+03 0.10799E+03 -0.47143E+02 3075 0.348E+01 0.376E+01 DAV: 7 -0.847073129629E+03 0.58300E+00 -0.14698E+01 3507 0.630E+00 0.148E+01 DAV: 8 -0.846732208690E+03 0.34092E+00 -0.18071E+00 3219 0.361E+00 0.605E+00 DAV: 9 -0.846635878657E+03 0.96330E-01 -0.67259E-01 3201 0.197E+00 0.140E+00 DAV: 10 -0.846625516028E+03 0.10363E-01 -0.17353E-01 3354 0.121E+00 0.145E+00 DAV: 11 -0.846593139153E+03 0.32377E-01 -0.58567E-02 3660 0.839E-01 0.934E-01 DAV: 12 -0.846586712815E+03 0.64263E-02 -0.65105E-02 3489 0.550E-01 0.610E-01 DAV: 13 -0.846583903198E+03 0.28096E-02 -0.55618E-02 3561 0.671E-01 0.819E-01 DAV: 14 -0.846577095264E+03 0.68079E-02 -0.69760E-02 3561 0.491E-01 0.379E-01 DAV: 15 -0.846576035153E+03 0.10601E-02 -0.33956E-02 3057 0.491E-01 0.460E-01 DAV: 16 -0.846573318234E+03 0.27169E-02 -0.76724E-03 3192 0.188E-01 0.242E-01 DAV: 17 -0.846573838423E+03 -0.52019E-03 -0.36115E-03 3021 0.136E-01 0.136E-01 DAV: 18 -0.846575491175E+03 -0.16528E-02 -0.18209E-03 3201 0.126E-01 0.931E-02 DAV: 19 -0.846578426001E+03 -0.29348E-02 -0.18207E-03 3174 0.127E-01 0.954E-02 DAV: 20 -0.846581573219E+03 -0.31472E-02 -0.10394E-03 3066 0.775E-02 0.593E-02 DAV: 21 -0.846583517229E+03 -0.19440E-02 -0.45303E-04 3102 0.602E-02 0.540E-02 DAV: 22 -0.846584923731E+03 -0.14065E-02 -0.23872E-04 3084 0.342E-02 0.418E-02 DAV: 23 -0.846585974744E+03 -0.10510E-02 -0.11654E-04 2913 0.283E-02 0.170E-02 DAV: 24 -0.846586460484E+03 -0.48574E-03 -0.62537E-05 2760 0.225E-02 0.101E-02 DAV: 25 -0.846586774639E+03 -0.31416E-03 -0.26266E-05 2121 0.166E-02 0.932E-03 DAV: 26 -0.846586893069E+03 -0.11843E-03 -0.11913E-05 1977 0.863E-03 0.405E-03 DAV: 27 -0.846586939925E+03 -0.46856E-04 -0.53130E-06 1977 0.608E-03 0.277E-03 DAV: 28 -0.846586970160E+03 -0.30234E-04 -0.31709E-06 1959 0.469E-03 0.283E-03 DAV: 29 -0.846586974907E+03 -0.47471E-05 -0.12999E-06 2013 0.261E-03 1 F= -.84658697E+03 E0= -.84663699E+03 d E =0.150043E+00