iterations/neb0_image01_iter5_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 0.422868428963E+04 0.42287E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.430816401312E+03 -0.46595E+04 -0.45562E+04 3360 0.329E+02 DAV: 3 -0.943363391314E+03 -0.51255E+03 -0.51034E+03 3120 0.117E+02 DAV: 4 -0.955575192225E+03 -0.12212E+02 -0.12166E+02 3183 0.195E+01 DAV: 5 -0.955977214268E+03 -0.40202E+00 -0.40149E+00 3201 0.320E+00 0.813E+01 DAV: 6 -0.847815529410E+03 0.10816E+03 -0.47173E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.847347523738E+03 0.46801E+00 -0.14390E+01 3552 0.604E+00 0.146E+01 DAV: 8 -0.847009870765E+03 0.33765E+00 -0.96007E-01 3165 0.237E+00 0.593E+00 DAV: 9 -0.846963608809E+03 0.46262E-01 -0.41686E-01 3183 0.151E+00 0.863E-01 DAV: 10 -0.846969314519E+03 -0.57057E-02 -0.68506E-02 3138 0.585E-01 0.588E-01 DAV: 11 -0.846968666242E+03 0.64828E-03 -0.64779E-03 3129 0.208E-01 0.327E-01 DAV: 12 -0.846969478840E+03 -0.81260E-03 -0.69990E-03 3075 0.247E-01 0.116E-01 DAV: 13 -0.846972494397E+03 -0.30156E-02 -0.44566E-03 3210 0.214E-01 0.134E-01 DAV: 14 -0.846976351233E+03 -0.38568E-02 -0.27402E-03 3075 0.136E-01 0.924E-02 DAV: 15 -0.846981444586E+03 -0.50934E-02 -0.13914E-03 3039 0.950E-02 0.413E-02 DAV: 16 -0.846983440573E+03 -0.19960E-02 -0.39037E-04 3120 0.488E-02 0.378E-02 DAV: 17 -0.846984374131E+03 -0.93356E-03 -0.20270E-04 3111 0.329E-02 0.251E-02 DAV: 18 -0.846985128730E+03 -0.75460E-03 -0.27649E-05 2373 0.179E-02 0.135E-02 DAV: 19 -0.846985698568E+03 -0.56984E-03 -0.40285E-05 2697 0.211E-02 0.779E-03 DAV: 20 -0.846985799342E+03 -0.10077E-03 -0.36366E-05 2778 0.156E-02 0.715E-03 DAV: 21 -0.846985829138E+03 -0.29796E-04 -0.38827E-06 2022 0.446E-03 0.594E-03 DAV: 22 -0.846985849149E+03 -0.20011E-04 -0.18911E-06 1977 0.305E-03 0.306E-03 DAV: 23 -0.846985861734E+03 -0.12585E-04 -0.18890E-06 1968 0.335E-03 0.125E-03 DAV: 24 -0.846985864628E+03 -0.28933E-05 -0.77590E-07 1986 0.185E-03 1 F= -.84698586E+03 E0= -.84698973E+03 d E =0.115958E-01