./iterations/neb0_image05_iter50_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 0.422788397680E+04 0.42279E+04 -0.23876E+05 2901 0.117E+03
DAV: 2 -0.428265058036E+03 -0.46561E+04 -0.45607E+04 3360 0.329E+02
DAV: 3 -0.942208010975E+03 -0.51394E+03 -0.51168E+03 3120 0.117E+02
DAV: 4 -0.954519565649E+03 -0.12312E+02 -0.12265E+02 3183 0.196E+01
DAV: 5 -0.954924388046E+03 -0.40482E+00 -0.40427E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.846912938328E+03 0.10801E+03 -0.46979E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846413390196E+03 0.49955E+00 -0.14591E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846028774024E+03 0.38462E+00 -0.98891E-01 3165 0.240E+00 0.597E+00
DAV: 9 -0.845943568270E+03 0.85206E-01 -0.45284E-01 3210 0.172E+00 0.126E+00
DAV: 10 -0.845928422888E+03 0.15145E-01 -0.86988E-02 3489 0.817E-01 0.953E-01
DAV: 11 -0.845916641353E+03 0.11782E-01 -0.19045E-02 3264 0.525E-01 0.893E-01
DAV: 12 -0.845906509605E+03 0.10132E-01 -0.11872E-02 3489 0.302E-01 0.398E-01
DAV: 13 -0.845894845747E+03 0.11664E-01 -0.51062E-03 3282 0.440E-01 0.434E-01
DAV: 14 -0.845895405522E+03 -0.55978E-03 -0.47721E-03 3084 0.125E-01 0.395E-01
DAV: 15 -0.845894723892E+03 0.68163E-03 -0.97068E-04 3129 0.610E-02 0.415E-01
DAV: 16 -0.845909722971E+03 -0.14999E-01 -0.64550E-02 2994 0.535E-01 0.900E-01
DAV: 17 -0.845909085640E+03 0.63733E-03 -0.49422E-03 3120 0.227E-01 0.832E-01
DAV: 18 -0.845910403583E+03 -0.13179E-02 -0.95276E-04 3516 0.248E-01 0.771E-01
DAV: 19 -0.845908637695E+03 0.17659E-02 -0.21324E-03 3237 0.239E-01 0.601E-01
DAV: 20 -0.845908059344E+03 0.57835E-03 -0.65868E-03 3435 0.415E-01 0.294E-01
DAV: 21 -0.845913342999E+03 -0.52837E-02 -0.30122E-03 3489 0.394E-01 0.276E-01
DAV: 22 -0.845918287062E+03 -0.49441E-02 -0.57100E-03 3534 0.368E-01 0.383E-01
DAV: 23 -0.845919632572E+03 -0.13455E-02 -0.33910E-03 3147 0.160E-01 0.432E-01
DAV: 24 -0.845919687647E+03 -0.55075E-04 -0.39741E-04 3093 0.353E-02 0.452E-01
DAV: 25 -0.845919677012E+03 0.10634E-04 -0.26232E-05 2517 0.196E-02 0.460E-01
DAV: 26 -0.845920219530E+03 -0.54252E-03 -0.18166E-05 2346 0.557E-02 0.458E-01
DAV: 27 -0.845921579244E+03 -0.13597E-02 -0.26008E-04 4065 0.130E-01 0.466E-01
DAV: 28 -0.845919597035E+03 0.19822E-02 -0.32354E-04 3840 0.192E-01 0.430E-01
DAV: 29 -0.845912917091E+03 0.66799E-02 -0.86241E-03 4587 0.108E+00 0.423E-01
DAV: 30 -0.845914099815E+03 -0.11827E-02 -0.13284E-02 3129 0.241E-01 0.448E-01
DAV: 31 -0.845914381039E+03 -0.28122E-03 -0.10865E-03 3120 0.640E-02 0.419E-01
DAV: 32 -0.845914659654E+03 -0.27861E-03 -0.15314E-04 3147 0.261E-02 0.438E-01
DAV: 33 -0.845915647403E+03 -0.98775E-03 -0.45506E-04 3066 0.482E-02 0.466E-01
DAV: 34 -0.845915594818E+03 0.52585E-04 -0.13151E-04 3849 0.200E-01 0.518E-01
DAV: 35 -0.845914570433E+03 0.10244E-02 0.32892E-05 4155 0.211E-01 0.601E-01
DAV: 36 -0.845915922856E+03 -0.13524E-02 0.39978E-04 4002 0.303E-01 0.458E-01
DAV: 37 -0.845915836816E+03 0.86040E-04 -0.19045E-04 3093 0.321E-02 0.448E-01
DAV: 38 -0.845915971360E+03 -0.13454E-03 -0.17222E-05 2094 0.962E-03 0.457E-01
DAV: 39 -0.845916109982E+03 -0.13862E-03 -0.10583E-05 2013 0.966E-03 0.465E-01
DAV: 40 -0.845915857809E+03 0.25217E-03 -0.16402E-04 3147 0.605E-02 0.383E-01
DAV: 41 -0.845915012231E+03 0.84558E-03 -0.15142E-03 3102 0.616E-02 0.226E-01
DAV: 42 -0.845914927995E+03 0.84235E-04 -0.48389E-05 2976 0.191E-02 0.228E-01
DAV: 43 -0.845914851425E+03 0.76570E-04 -0.16848E-04 3111 0.256E-02 0.179E-01
DAV: 44 -0.845914951479E+03 -0.10005E-03 -0.87242E-05 3120 0.631E-02 0.129E-01
DAV: 45 -0.845915384997E+03 -0.43352E-03 -0.11840E-03 3264 0.179E-01 0.996E-02
DAV: 46 -0.845915662399E+03 -0.27740E-03 -0.43453E-04 3336 0.679E-02 0.143E-01
DAV: 47 -0.845915739688E+03 -0.77289E-04 -0.12828E-04 3174 0.364E-02 0.136E-01
DAV: 48 -0.845915780220E+03 -0.40532E-04 -0.16674E-05 2328 0.188E-02 0.136E-01
DAV: 49 -0.845915779245E+03 0.97517E-06 -0.11723E-05 1833 0.654E-03
1 F= -.84591578E+03 E0= -.84593374E+03 d E =0.538849E-01