./iterations/neb0_image03_iter18_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 0.422985429163E+04 0.42299E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.428848310509E+03 -0.46587E+04 -0.45618E+04 3357 0.329E+02
DAV: 3 -0.942607169644E+03 -0.51376E+03 -0.51152E+03 3120 0.117E+02
DAV: 4 -0.954910616863E+03 -0.12303E+02 -0.12257E+02 3192 0.196E+01
DAV: 5 -0.955315720553E+03 -0.40510E+00 -0.40455E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.847056927447E+03 0.10826E+03 -0.47181E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.846607723740E+03 0.44920E+00 -0.14471E+01 3525 0.610E+00 0.146E+01
DAV: 8 -0.846283828658E+03 0.32390E+00 -0.94783E-01 3165 0.233E+00 0.598E+00
DAV: 9 -0.846247162048E+03 0.36667E-01 -0.41758E-01 3192 0.152E+00 0.862E-01
DAV: 10 -0.846253880711E+03 -0.67187E-02 -0.69933E-02 3138 0.591E-01 0.593E-01
DAV: 11 -0.846253718575E+03 0.16214E-03 -0.70899E-03 3111 0.211E-01 0.334E-01
DAV: 12 -0.846254591309E+03 -0.87273E-03 -0.59159E-03 3057 0.229E-01 0.115E-01
DAV: 13 -0.846257420946E+03 -0.28296E-02 -0.40359E-03 3102 0.207E-01 0.128E-01
DAV: 14 -0.846261167503E+03 -0.37466E-02 -0.27527E-03 3075 0.139E-01 0.872E-02
DAV: 15 -0.846265465181E+03 -0.42977E-02 -0.11812E-03 3129 0.919E-02 0.396E-02
DAV: 16 -0.846267456061E+03 -0.19909E-02 -0.35959E-04 3111 0.501E-02 0.358E-02
DAV: 17 -0.846268452946E+03 -0.99688E-03 -0.24966E-04 3120 0.364E-02 0.257E-02
DAV: 18 -0.846269132185E+03 -0.67924E-03 -0.29616E-05 2436 0.210E-02 0.124E-02
DAV: 19 -0.846269662132E+03 -0.52995E-03 -0.43720E-05 2742 0.219E-02 0.659E-03
DAV: 20 -0.846269749741E+03 -0.87609E-04 -0.25001E-05 2400 0.124E-02 0.602E-03
DAV: 21 -0.846269793735E+03 -0.43994E-04 -0.34784E-06 1977 0.447E-03 0.526E-03
DAV: 22 -0.846269819026E+03 -0.25291E-04 -0.24220E-06 1995 0.357E-03 0.237E-03
DAV: 23 -0.846269828361E+03 -0.93346E-05 -0.16621E-06 1986 0.322E-03
1 F= -.84626983E+03 E0= -.84627369E+03 d E =0.115959E-01