./iterations/neb0_image04_iter69_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 0.423770287907E+04 0.42377E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428863966131E+03 -0.46666E+04 -0.45699E+04 3357 0.329E+02
DAV: 3 -0.942907479679E+03 -0.51404E+03 -0.51180E+03 3120 0.117E+02
DAV: 4 -0.955219109500E+03 -0.12312E+02 -0.12265E+02 3183 0.196E+01
DAV: 5 -0.955624571972E+03 -0.40546E+00 -0.40493E+00 3219 0.321E+00 0.813E+01
DAV: 6 -0.847542701088E+03 0.10808E+03 -0.47048E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847080636686E+03 0.46206E+00 -0.14458E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846748162861E+03 0.33247E+00 -0.96430E-01 3156 0.236E+00 0.594E+00
DAV: 9 -0.846699602501E+03 0.48560E-01 -0.40771E-01 3192 0.151E+00 0.854E-01
DAV: 10 -0.846704794395E+03 -0.51919E-02 -0.73563E-02 3111 0.610E-01 0.594E-01
DAV: 11 -0.846703948386E+03 0.84601E-03 -0.66519E-03 3102 0.212E-01 0.340E-01
DAV: 12 -0.846704271659E+03 -0.32327E-03 -0.71057E-03 3057 0.246E-01 0.119E-01
DAV: 13 -0.846707140745E+03 -0.28691E-02 -0.44285E-03 3156 0.215E-01 0.137E-01
DAV: 14 -0.846711073564E+03 -0.39328E-02 -0.31012E-03 3120 0.147E-01 0.968E-02
DAV: 15 -0.846715563936E+03 -0.44904E-02 -0.10900E-03 3066 0.860E-02 0.345E-02
DAV: 16 -0.846717997791E+03 -0.24339E-02 -0.46165E-04 3102 0.505E-02 0.367E-02
DAV: 17 -0.846719216819E+03 -0.12190E-02 -0.21975E-04 3102 0.369E-02 0.249E-02
DAV: 18 -0.846719905827E+03 -0.68901E-03 -0.29741E-05 2418 0.188E-02 0.142E-02
DAV: 19 -0.846720483865E+03 -0.57804E-03 -0.42559E-05 2679 0.212E-02 0.717E-03
DAV: 20 -0.846720588047E+03 -0.10418E-03 -0.30222E-05 2643 0.138E-02 0.665E-03
DAV: 21 -0.846720632432E+03 -0.44385E-04 -0.35776E-06 1995 0.477E-03 0.594E-03
DAV: 22 -0.846720654152E+03 -0.21720E-04 -0.23850E-06 1977 0.356E-03 0.281E-03
DAV: 23 -0.846720660790E+03 -0.66381E-05 -0.17826E-06 2004 0.292E-03
1 F= -.84672066E+03 E0= -.84672453E+03 d E =0.115958E-01