iterations/neb0_image04_iter6_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 0.422383047998E+04 0.42238E+04 -0.23848E+05 2892 0.117E+03
DAV: 2 -0.426384834386E+03 -0.46502E+04 -0.45542E+04 3360 0.329E+02
DAV: 3 -0.939130049015E+03 -0.51275E+03 -0.51041E+03 3120 0.117E+02
DAV: 4 -0.951465421441E+03 -0.12335E+02 -0.12289E+02 3201 0.196E+01
DAV: 5 -0.951860784416E+03 -0.39536E+00 -0.39483E+00 3183 0.317E+00 0.812E+01
DAV: 6 -0.843477536524E+03 0.10838E+03 -0.47331E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.842975606075E+03 0.50193E+00 -0.14418E+01 3516 0.614E+00 0.146E+01
DAV: 8 -0.842637870148E+03 0.33774E+00 -0.96540E-01 3147 0.240E+00 0.595E+00
DAV: 9 -0.842596901448E+03 0.40969E-01 -0.41452E-01 3192 0.153E+00 0.872E-01
DAV: 10 -0.842601386672E+03 -0.44852E-02 -0.70307E-02 3111 0.596E-01 0.587E-01
DAV: 11 -0.842599958034E+03 0.14286E-02 -0.69817E-03 3165 0.213E-01 0.334E-01
DAV: 12 -0.842599546445E+03 0.41159E-03 -0.75957E-03 3183 0.253E-01 0.127E-01
DAV: 13 -0.842601406268E+03 -0.18598E-02 -0.42802E-03 3165 0.208E-01 0.138E-01
DAV: 14 -0.842605037687E+03 -0.36314E-02 -0.30800E-03 3102 0.150E-01 0.958E-02
DAV: 15 -0.842609497167E+03 -0.44595E-02 -0.10974E-03 3093 0.946E-02 0.370E-02
DAV: 16 -0.842611662241E+03 -0.21651E-02 -0.48683E-04 3120 0.479E-02 0.344E-02
DAV: 17 -0.842612713372E+03 -0.10511E-02 -0.11184E-04 3102 0.276E-02 0.230E-02
DAV: 18 -0.842613485765E+03 -0.77239E-03 -0.38793E-05 2643 0.173E-02 0.130E-02
DAV: 19 -0.842614019026E+03 -0.53326E-03 -0.22735E-05 2283 0.163E-02 0.859E-03
DAV: 20 -0.842614196936E+03 -0.17791E-03 -0.32095E-05 2589 0.161E-02 0.550E-03
DAV: 21 -0.842614241946E+03 -0.45009E-04 -0.63232E-06 2040 0.644E-03 0.521E-03
DAV: 22 -0.842614262756E+03 -0.20811E-04 -0.21647E-06 1977 0.328E-03 0.318E-03
DAV: 23 -0.842614271576E+03 -0.88199E-05 -0.11990E-06 2004 0.241E-03
1 F= -.84261427E+03 E0= -.84262274E+03 d E =0.254067E-01