./iterations/neb0_image08_iter32_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 0.423618717371E+04 0.42362E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.428274656507E+03 -0.46645E+04 -0.45653E+04 3372 0.329E+02 DAV: 3 -0.942855369582E+03 -0.51458E+03 -0.51238E+03 3120 0.118E+02 DAV: 4 -0.955111043253E+03 -0.12256E+02 -0.12211E+02 3183 0.196E+01 DAV: 5 -0.955513645077E+03 -0.40260E+00 -0.40206E+00 3183 0.321E+00 0.812E+01 DAV: 6 -0.847477799876E+03 0.10804E+03 -0.47098E+02 3084 0.347E+01 0.376E+01 DAV: 7 -0.846893691201E+03 0.58411E+00 -0.14747E+01 3507 0.638E+00 0.148E+01 DAV: 8 -0.846560233991E+03 0.33346E+00 -0.13726E+00 3255 0.303E+00 0.607E+00 DAV: 9 -0.846492442748E+03 0.67791E-01 -0.73484E-01 3273 0.234E+00 0.162E+00 DAV: 10 -0.846480512782E+03 0.11930E-01 -0.22140E-01 3354 0.128E+00 0.145E+00 DAV: 11 -0.846436048038E+03 0.44465E-01 -0.49925E-02 3489 0.686E-01 0.113E+00 DAV: 12 -0.846428793949E+03 0.72541E-02 -0.62920E-02 3138 0.391E-01 0.867E-01 DAV: 13 -0.846427110457E+03 0.16835E-02 -0.78885E-02 4119 0.590E-01 0.872E-01 DAV: 14 -0.846419289520E+03 0.78209E-02 -0.63129E-02 3732 0.518E-01 0.523E-01 DAV: 15 -0.846415273061E+03 0.40165E-02 -0.17744E-02 3327 0.293E-01 0.353E-01 DAV: 16 -0.846413579491E+03 0.16936E-02 -0.12512E-02 3291 0.288E-01 0.337E-01 DAV: 17 -0.846413755507E+03 -0.17602E-03 -0.11594E-02 3363 0.183E-01 0.336E-01 DAV: 18 -0.846414214652E+03 -0.45914E-03 -0.59585E-03 3075 0.183E-01 0.171E-01 DAV: 19 -0.846416509722E+03 -0.22951E-02 -0.21697E-03 3093 0.109E-01 0.164E-01 DAV: 20 -0.846420414300E+03 -0.39046E-02 -0.13991E-03 3075 0.945E-02 0.870E-02 DAV: 21 -0.846422245688E+03 -0.18314E-02 -0.68342E-04 3147 0.610E-02 0.503E-02 DAV: 22 -0.846424007686E+03 -0.17620E-02 -0.29963E-04 3093 0.405E-02 0.522E-02 DAV: 23 -0.846425184467E+03 -0.11768E-02 -0.86435E-05 3021 0.247E-02 0.376E-02 DAV: 24 -0.846425936519E+03 -0.75205E-03 -0.56414E-05 2742 0.206E-02 0.225E-02 DAV: 25 -0.846426306965E+03 -0.37045E-03 -0.26911E-05 2040 0.148E-02 0.109E-02 DAV: 26 -0.846426498793E+03 -0.19183E-03 -0.19762E-05 2040 0.112E-02 0.107E-02 DAV: 27 -0.846426567861E+03 -0.69068E-04 -0.85956E-06 1986 0.829E-03 0.768E-03 DAV: 28 -0.846426588317E+03 -0.20456E-04 -0.33588E-06 1995 0.383E-03 0.763E-03 DAV: 29 -0.846426595676E+03 -0.73585E-05 -0.11219E-06 1995 0.236E-03 1 F= -.84642660E+03 E0= -.84647391E+03 d E =0.141931E+00