./iterations/neb0_image02_iter18_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 0.422945745130E+04 0.42295E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430136760975E+03 -0.46596E+04 -0.45596E+04 3357 0.329E+02
DAV: 3 -0.943110543759E+03 -0.51297E+03 -0.51076E+03 3120 0.117E+02
DAV: 4 -0.955368415187E+03 -0.12258E+02 -0.12212E+02 3183 0.195E+01
DAV: 5 -0.955772368378E+03 -0.40395E+00 -0.40340E+00 3201 0.321E+00 0.812E+01
DAV: 6 -0.847688095530E+03 0.10808E+03 -0.47128E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847227421747E+03 0.46067E+00 -0.14406E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846897241305E+03 0.33018E+00 -0.96351E-01 3156 0.237E+00 0.594E+00
DAV: 9 -0.846855684882E+03 0.41556E-01 -0.41128E-01 3183 0.151E+00 0.856E-01
DAV: 10 -0.846862742606E+03 -0.70577E-02 -0.70999E-02 3120 0.597E-01 0.594E-01
DAV: 11 -0.846862800730E+03 -0.58124E-04 -0.65606E-03 3111 0.210E-01 0.336E-01
DAV: 12 -0.846864194652E+03 -0.13939E-02 -0.67130E-03 3057 0.242E-01 0.116E-01
DAV: 13 -0.846867388160E+03 -0.31935E-02 -0.41826E-03 3165 0.208E-01 0.132E-01
DAV: 14 -0.846871172394E+03 -0.37842E-02 -0.27730E-03 3120 0.138E-01 0.923E-02
DAV: 15 -0.846875806670E+03 -0.46343E-02 -0.11588E-03 3075 0.877E-02 0.357E-02
DAV: 16 -0.846877999575E+03 -0.21929E-02 -0.41577E-04 3102 0.485E-02 0.363E-02
DAV: 17 -0.846879060486E+03 -0.10609E-02 -0.20309E-04 3093 0.346E-02 0.247E-02
DAV: 18 -0.846879751389E+03 -0.69090E-03 -0.28019E-05 2382 0.188E-02 0.131E-02
DAV: 19 -0.846880290004E+03 -0.53862E-03 -0.39851E-05 2688 0.210E-02 0.676E-03
DAV: 20 -0.846880384061E+03 -0.94057E-04 -0.28553E-05 2562 0.136E-02 0.639E-03
DAV: 21 -0.846880421305E+03 -0.37243E-04 -0.33484E-06 1986 0.442E-03 0.572E-03
DAV: 22 -0.846880441506E+03 -0.20202E-04 -0.21138E-06 1995 0.349E-03 0.265E-03
DAV: 23 -0.846880449593E+03 -0.80867E-05 -0.16978E-06 1986 0.314E-03
1 F= -.84688045E+03 E0= -.84688431E+03 d E =0.115958E-01