./iterations/neb0_image07_iter40_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 0.423820681463E+04 0.42382E+04 -0.23864E+05 2892 0.117E+03 DAV: 2 -0.425430332358E+03 -0.46636E+04 -0.45661E+04 3345 0.329E+02 DAV: 3 -0.942602388803E+03 -0.51717E+03 -0.51491E+03 3120 0.118E+02 DAV: 4 -0.955007043747E+03 -0.12405E+02 -0.12357E+02 3183 0.196E+01 DAV: 5 -0.955415526932E+03 -0.40848E+00 -0.40794E+00 3192 0.322E+00 0.812E+01 DAV: 6 -0.847218644111E+03 0.10820E+03 -0.47100E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.846820439702E+03 0.39820E+00 -0.14485E+01 3543 0.645E+00 0.147E+01 DAV: 8 -0.846387421981E+03 0.43302E+00 -0.14555E+00 3525 0.334E+00 0.622E+00 DAV: 9 -0.846317974257E+03 0.69448E-01 -0.60078E-01 3174 0.175E+00 0.131E+00 DAV: 10 -0.846287175696E+03 0.30799E-01 -0.18115E-01 3156 0.953E-01 0.122E+00 DAV: 11 -0.846272501547E+03 0.14674E-01 -0.25976E-02 3606 0.665E-01 0.983E-01 DAV: 12 -0.846277745423E+03 -0.52439E-02 -0.69697E-02 3579 0.536E-01 0.123E+00 DAV: 13 -0.846266879208E+03 0.10866E-01 -0.16117E-01 3894 0.558E-01 0.105E+00 DAV: 14 -0.846259696707E+03 0.71825E-02 -0.11582E-02 3543 0.499E-01 0.807E-01 DAV: 15 -0.846257504310E+03 0.21924E-02 -0.12388E-02 3291 0.284E-01 0.721E-01 DAV: 16 -0.846254388132E+03 0.31162E-02 -0.55274E-03 3048 0.212E-01 0.551E-01 DAV: 17 -0.846253790220E+03 0.59791E-03 -0.70903E-03 3255 0.220E-01 0.157E-01 DAV: 18 -0.846257623235E+03 -0.38330E-02 -0.42468E-03 3210 0.187E-01 0.240E-01 DAV: 19 -0.846259628443E+03 -0.20052E-02 -0.15814E-03 3138 0.110E-01 0.129E-01 DAV: 20 -0.846260783830E+03 -0.11554E-02 -0.37509E-04 3111 0.515E-02 0.753E-02 DAV: 21 -0.846263062179E+03 -0.22783E-02 -0.32989E-04 3129 0.773E-02 0.878E-02 DAV: 22 -0.846264269422E+03 -0.12072E-02 -0.45980E-04 3552 0.669E-02 0.307E-02 DAV: 23 -0.846264831620E+03 -0.56220E-03 -0.15969E-04 3399 0.503E-02 0.308E-02 DAV: 24 -0.846265176566E+03 -0.34495E-03 -0.66150E-05 3237 0.385E-02 0.212E-02 DAV: 25 -0.846265432260E+03 -0.25569E-03 -0.48919E-05 3228 0.523E-02 0.164E-02 DAV: 26 -0.846265532260E+03 -0.10000E-03 -0.12183E-04 3669 0.480E-02 0.161E-02 DAV: 27 -0.846265551984E+03 -0.19723E-04 -0.77633E-05 3210 0.308E-02 0.115E-02 DAV: 28 -0.846265555391E+03 -0.34075E-05 -0.79947E-06 2094 0.196E-02 1 F= -.84626556E+03 E0= -.84631224E+03 d E =0.140062E+00