iterations/neb0_image01_iter4_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 0.422895345425E+04 0.42290E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.430761248394E+03 -0.46597E+04 -0.45565E+04 3360 0.329E+02 DAV: 3 -0.943361772790E+03 -0.51260E+03 -0.51039E+03 3120 0.117E+02 DAV: 4 -0.955574491327E+03 -0.12213E+02 -0.12167E+02 3183 0.195E+01 DAV: 5 -0.955976828091E+03 -0.40234E+00 -0.40181E+00 3210 0.320E+00 0.813E+01 DAV: 6 -0.847771811049E+03 0.10821E+03 -0.47184E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.847297031342E+03 0.47478E+00 -0.14387E+01 3552 0.604E+00 0.146E+01 DAV: 8 -0.846956805741E+03 0.34023E+00 -0.95619E-01 3165 0.237E+00 0.593E+00 DAV: 9 -0.846908949226E+03 0.47857E-01 -0.41970E-01 3183 0.152E+00 0.867E-01 DAV: 10 -0.846914311458E+03 -0.53622E-02 -0.69572E-02 3138 0.590E-01 0.588E-01 DAV: 11 -0.846913445188E+03 0.86627E-03 -0.66333E-03 3129 0.209E-01 0.327E-01 DAV: 12 -0.846914006712E+03 -0.56152E-03 -0.69463E-03 3084 0.247E-01 0.117E-01 DAV: 13 -0.846916937898E+03 -0.29312E-02 -0.45809E-03 3192 0.219E-01 0.134E-01 DAV: 14 -0.846920832835E+03 -0.38949E-02 -0.28554E-03 3084 0.139E-01 0.926E-02 DAV: 15 -0.846925868024E+03 -0.50352E-02 -0.14171E-03 3039 0.953E-02 0.429E-02 DAV: 16 -0.846927903206E+03 -0.20352E-02 -0.38062E-04 3102 0.500E-02 0.384E-02 DAV: 17 -0.846928878664E+03 -0.97546E-03 -0.24316E-04 3120 0.354E-02 0.263E-02 DAV: 18 -0.846929612872E+03 -0.73421E-03 -0.29371E-05 2418 0.192E-02 0.140E-02 DAV: 19 -0.846930197092E+03 -0.58422E-03 -0.44047E-05 2760 0.218E-02 0.772E-03 DAV: 20 -0.846930290261E+03 -0.93169E-04 -0.33810E-05 2742 0.146E-02 0.690E-03 DAV: 21 -0.846930324668E+03 -0.34407E-04 -0.33379E-06 1986 0.413E-03 0.584E-03 DAV: 22 -0.846930347226E+03 -0.22558E-04 -0.20764E-06 1977 0.320E-03 0.280E-03 DAV: 23 -0.846930359088E+03 -0.11862E-04 -0.17255E-06 1977 0.326E-03 0.117E-03 DAV: 24 -0.846930362410E+03 -0.33212E-05 -0.68820E-07 1986 0.182E-03 1 F= -.84693036E+03 E0= -.84693423E+03 d E =0.115958E-01