iterations/neb0_image06_iter49_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 0.423940486127E+04 0.42394E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428475705396E+03 -0.46679E+04 -0.45710E+04 3366 0.329E+02 DAV: 3 -0.942325809473E+03 -0.51385E+03 -0.51161E+03 3120 0.117E+02 DAV: 4 -0.954593323033E+03 -0.12268E+02 -0.12222E+02 3210 0.196E+01 DAV: 5 -0.954983720544E+03 -0.39040E+00 -0.38986E+00 3183 0.316E+00 0.811E+01 DAV: 6 -0.846980159622E+03 0.10800E+03 -0.47010E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846523987910E+03 0.45617E+00 -0.14545E+01 3543 0.606E+00 0.146E+01 DAV: 8 -0.846174357883E+03 0.34963E+00 -0.96179E-01 3165 0.233E+00 0.597E+00 DAV: 9 -0.846107777347E+03 0.66581E-01 -0.42235E-01 3183 0.147E+00 0.864E-01 DAV: 10 -0.846104135668E+03 0.36417E-02 -0.68367E-02 3138 0.582E-01 0.575E-01 DAV: 11 -0.846098588177E+03 0.55475E-02 -0.66262E-03 3138 0.226E-01 0.320E-01 DAV: 12 -0.846093361365E+03 0.52268E-02 -0.74690E-03 3084 0.269E-01 0.124E-01 DAV: 13 -0.846093274987E+03 0.86378E-04 -0.48516E-03 3093 0.233E-01 0.148E-01 DAV: 14 -0.846096399176E+03 -0.31242E-02 -0.33987E-03 3057 0.159E-01 0.102E-01 DAV: 15 -0.846101590538E+03 -0.51914E-02 -0.14890E-03 3129 0.121E-01 0.426E-02 DAV: 16 -0.846103807605E+03 -0.22171E-02 -0.58214E-04 3111 0.590E-02 0.384E-02 DAV: 17 -0.846104821927E+03 -0.10143E-02 -0.15914E-04 3111 0.279E-02 0.239E-02 DAV: 18 -0.846105894205E+03 -0.10723E-02 -0.44171E-05 2670 0.172E-02 0.113E-02 DAV: 19 -0.846106511743E+03 -0.61754E-03 -0.30389E-05 2445 0.184E-02 0.855E-03 DAV: 20 -0.846106644885E+03 -0.13314E-03 -0.30530E-05 2661 0.136E-02 0.681E-03 DAV: 21 -0.846106696092E+03 -0.51207E-04 -0.42375E-06 1995 0.592E-03 0.395E-03 DAV: 22 -0.846106748794E+03 -0.52702E-04 -0.36282E-06 1950 0.495E-03 0.203E-03 DAV: 23 -0.846106761752E+03 -0.12958E-04 -0.19712E-06 2004 0.368E-03 0.201E-03 DAV: 24 -0.846106764684E+03 -0.29319E-05 -0.11352E-06 1995 0.287E-03 1 F= -.84610676E+03 E0= -.84611066E+03 d E =0.116746E-01