./iterations/neb0_image07_iter47_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 0.423763817106E+04 0.42376E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426938172111E+03 -0.46646E+04 -0.45668E+04 3351 0.329E+02
DAV: 3 -0.942595587796E+03 -0.51566E+03 -0.51340E+03 3120 0.118E+02
DAV: 4 -0.954938507730E+03 -0.12343E+02 -0.12296E+02 3183 0.196E+01
DAV: 5 -0.955344102132E+03 -0.40559E+00 -0.40504E+00 3183 0.321E+00 0.812E+01
DAV: 6 -0.847345266622E+03 0.10800E+03 -0.47057E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846809494432E+03 0.53577E+00 -0.14701E+01 3543 0.637E+00 0.147E+01
DAV: 8 -0.846463699408E+03 0.34580E+00 -0.99295E-01 3156 0.266E+00 0.605E+00
DAV: 9 -0.846440663031E+03 0.23036E-01 -0.65929E-01 4173 0.343E+00 0.215E+00
DAV: 10 -0.846422493010E+03 0.18170E-01 -0.33752E-01 3390 0.165E+00 0.156E+00
DAV: 11 -0.846387892129E+03 0.34601E-01 -0.85142E-02 3147 0.791E-01 0.133E+00
DAV: 12 -0.846374896274E+03 0.12996E-01 -0.13300E-01 3705 0.783E-01 0.119E+00
DAV: 13 -0.846351459953E+03 0.23436E-01 -0.39216E-02 3354 0.596E-01 0.779E-01
DAV: 14 -0.846334658999E+03 0.16801E-01 -0.17406E-02 3786 0.660E-01 0.857E-01
DAV: 15 -0.846333801670E+03 0.85733E-03 -0.73740E-02 3597 0.517E-01 0.881E-01
DAV: 16 -0.846324477622E+03 0.93240E-02 -0.21744E-02 3462 0.328E-01 0.277E-01
DAV: 17 -0.846322456467E+03 0.20212E-02 -0.88112E-03 3210 0.333E-01 0.368E-01
DAV: 18 -0.846321027577E+03 0.14289E-02 -0.62815E-03 3111 0.200E-01 0.173E-01
DAV: 19 -0.846322229702E+03 -0.12021E-02 -0.29708E-03 3201 0.140E-01 0.189E-01
DAV: 20 -0.846324247662E+03 -0.20180E-02 -0.34769E-03 3300 0.187E-01 0.125E-01
DAV: 21 -0.846325710270E+03 -0.14626E-02 -0.20854E-03 3228 0.123E-01 0.926E-02
DAV: 22 -0.846327621457E+03 -0.19112E-02 -0.10285E-03 3084 0.710E-02 0.672E-02
DAV: 23 -0.846330583747E+03 -0.29623E-02 -0.78545E-04 3102 0.681E-02 0.143E-01
DAV: 24 -0.846331214061E+03 -0.63031E-03 -0.88439E-04 3669 0.686E-02 0.499E-02
DAV: 25 -0.846331677692E+03 -0.46363E-03 -0.27420E-04 3138 0.378E-02 0.208E-02
DAV: 26 -0.846332107317E+03 -0.42963E-03 -0.60443E-05 2886 0.173E-02 0.159E-02
DAV: 27 -0.846332514417E+03 -0.40710E-03 -0.27608E-05 2121 0.136E-02 0.792E-03
DAV: 28 -0.846332688556E+03 -0.17414E-03 -0.13959E-05 2022 0.112E-02 0.108E-02
DAV: 29 -0.846332755842E+03 -0.67286E-04 -0.16100E-05 1977 0.125E-02 0.688E-03
DAV: 30 -0.846332775583E+03 -0.19741E-04 -0.72624E-06 1986 0.667E-03 0.560E-03
DAV: 31 -0.846332780233E+03 -0.46503E-05 -0.20501E-06 2004 0.299E-03
1 F= -.84633278E+03 E0= -.84638126E+03 d E =0.145432E+00