./iterations/neb0_image08_iter48_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 0.423749246480E+04 0.42375E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.428205875626E+03 -0.46657E+04 -0.45668E+04 3360 0.329E+02
DAV: 3 -0.942925771927E+03 -0.51472E+03 -0.51254E+03 3120 0.118E+02
DAV: 4 -0.955190005193E+03 -0.12264E+02 -0.12218E+02 3183 0.196E+01
DAV: 5 -0.955593008697E+03 -0.40300E+00 -0.40245E+00 3192 0.321E+00 0.813E+01
DAV: 6 -0.847556274655E+03 0.10804E+03 -0.47160E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.846952306247E+03 0.60397E+00 -0.14772E+01 3516 0.637E+00 0.148E+01
DAV: 8 -0.846643507208E+03 0.30880E+00 -0.20206E+00 3183 0.355E+00 0.606E+00
DAV: 9 -0.846552134329E+03 0.91373E-01 -0.77203E-01 3363 0.214E+00 0.146E+00
DAV: 10 -0.846504982342E+03 0.47152E-01 -0.14993E-01 3399 0.102E+00 0.103E+00
DAV: 11 -0.846484479000E+03 0.20503E-01 -0.99122E-02 3687 0.112E+00 0.104E+00
DAV: 12 -0.846480475098E+03 0.40039E-02 -0.12419E-01 3588 0.661E-01 0.719E-01
DAV: 13 -0.846471582760E+03 0.88923E-02 -0.59019E-02 3111 0.638E-01 0.727E-01
DAV: 14 -0.846466060139E+03 0.55226E-02 -0.20164E-02 3462 0.301E-01 0.309E-01
DAV: 15 -0.846469997385E+03 -0.39372E-02 -0.48482E-02 3372 0.480E-01 0.682E-01
DAV: 16 -0.846462494007E+03 0.75034E-02 -0.19968E-02 3399 0.263E-01 0.283E-01
DAV: 17 -0.846463186152E+03 -0.69215E-03 -0.58343E-03 3129 0.149E-01 0.159E-01
DAV: 18 -0.846464425455E+03 -0.12393E-02 -0.16629E-03 3030 0.128E-01 0.139E-01
DAV: 19 -0.846468004676E+03 -0.35792E-02 -0.27537E-03 3093 0.143E-01 0.108E-01
DAV: 20 -0.846470361855E+03 -0.23572E-02 -0.16427E-03 3174 0.965E-02 0.922E-02
DAV: 21 -0.846472078600E+03 -0.17167E-02 -0.65426E-04 3084 0.549E-02 0.576E-02
DAV: 22 -0.846474272020E+03 -0.21934E-02 -0.28522E-04 3075 0.441E-02 0.327E-02
DAV: 23 -0.846475285748E+03 -0.10137E-02 -0.12945E-04 3111 0.310E-02 0.195E-02
DAV: 24 -0.846475777476E+03 -0.49173E-03 -0.48149E-05 2679 0.187E-02 0.168E-02
DAV: 25 -0.846476097918E+03 -0.32044E-03 -0.28051E-05 2022 0.128E-02 0.163E-02
DAV: 26 -0.846476300269E+03 -0.20235E-03 -0.26341E-05 2013 0.121E-02 0.581E-03
DAV: 27 -0.846476387723E+03 -0.87454E-04 -0.10107E-05 1986 0.908E-03 0.932E-03
DAV: 28 -0.846476409633E+03 -0.21910E-04 -0.63274E-06 2004 0.555E-03 0.490E-03
DAV: 29 -0.846476419704E+03 -0.10071E-04 -0.15457E-06 1986 0.266E-03 0.360E-03
DAV: 30 -0.846476434012E+03 -0.14308E-04 -0.23919E-06 1923 0.362E-03 0.259E-03
DAV: 31 -0.846476437194E+03 -0.31824E-05 -0.77570E-07 1995 0.194E-03
1 F= -.84647644E+03 E0= -.84652531E+03 d E =0.146620E+00