./iterations/neb0_image01_iter65_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 0.423191902180E+04 0.42319E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430597671304E+03 -0.46625E+04 -0.45596E+04 3360 0.329E+02
DAV: 3 -0.943468241977E+03 -0.51287E+03 -0.51065E+03 3120 0.117E+02
DAV: 4 -0.955688695645E+03 -0.12220E+02 -0.12176E+02 3192 0.195E+01
DAV: 5 -0.956083820867E+03 -0.39513E+00 -0.39459E+00 3192 0.318E+00 0.813E+01
DAV: 6 -0.848051542968E+03 0.10803E+03 -0.47088E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847587151970E+03 0.46439E+00 -0.14389E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847249263460E+03 0.33789E+00 -0.96005E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.847202790843E+03 0.46473E-01 -0.41173E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847209236695E+03 -0.64459E-02 -0.70317E-02 3129 0.594E-01 0.591E-01
DAV: 11 -0.847209053344E+03 0.18335E-03 -0.64358E-03 3120 0.207E-01 0.332E-01
DAV: 12 -0.847210512596E+03 -0.14593E-02 -0.70553E-03 3048 0.245E-01 0.117E-01
DAV: 13 -0.847213947744E+03 -0.34351E-02 -0.44389E-03 3192 0.211E-01 0.135E-01
DAV: 14 -0.847217927291E+03 -0.39795E-02 -0.27726E-03 3129 0.136E-01 0.940E-02
DAV: 15 -0.847222916834E+03 -0.49895E-02 -0.12651E-03 3048 0.874E-02 0.375E-02
DAV: 16 -0.847225073292E+03 -0.21565E-02 -0.39635E-04 3147 0.479E-02 0.373E-02
DAV: 17 -0.847226100910E+03 -0.10276E-02 -0.20627E-04 3093 0.341E-02 0.256E-02
DAV: 18 -0.847226827556E+03 -0.72665E-03 -0.28108E-05 2373 0.188E-02 0.136E-02
DAV: 19 -0.847227397376E+03 -0.56982E-03 -0.42700E-05 2724 0.215E-02 0.746E-03
DAV: 20 -0.847227487661E+03 -0.90285E-04 -0.32030E-05 2670 0.142E-02 0.677E-03
DAV: 21 -0.847227521586E+03 -0.33925E-04 -0.32691E-06 1995 0.417E-03 0.583E-03
DAV: 22 -0.847227542542E+03 -0.20956E-04 -0.20707E-06 1995 0.338E-03 0.271E-03
DAV: 23 -0.847227551712E+03 -0.91707E-05 -0.16179E-06 1977 0.315E-03
1 F= -.84722755E+03 E0= -.84723142E+03 d E =0.115958E-01