./iterations/neb0_image04_iter52_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 0.423794899549E+04 0.42379E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.428645417729E+03 -0.46666E+04 -0.45703E+04 3357 0.329E+02
DAV: 3 -0.942746543382E+03 -0.51410E+03 -0.51186E+03 3120 0.117E+02
DAV: 4 -0.955063520190E+03 -0.12317E+02 -0.12270E+02 3183 0.196E+01
DAV: 5 -0.955468523227E+03 -0.40500E+00 -0.40442E+00 3183 0.321E+00 0.813E+01
DAV: 6 -0.847288391966E+03 0.10818E+03 -0.47066E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846823419607E+03 0.46497E+00 -0.14469E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846493028125E+03 0.33039E+00 -0.96659E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846447444968E+03 0.45583E-01 -0.40841E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.846453489092E+03 -0.60441E-02 -0.74362E-02 3102 0.611E-01 0.601E-01
DAV: 11 -0.846452929371E+03 0.55972E-03 -0.65540E-03 3129 0.208E-01 0.347E-01
DAV: 12 -0.846453576561E+03 -0.64719E-03 -0.72406E-03 3057 0.246E-01 0.121E-01
DAV: 13 -0.846456690127E+03 -0.31136E-02 -0.44097E-03 3237 0.213E-01 0.137E-01
DAV: 14 -0.846460789180E+03 -0.40991E-02 -0.30897E-03 3075 0.148E-01 0.976E-02
DAV: 15 -0.846465384479E+03 -0.45953E-02 -0.11014E-03 3120 0.863E-02 0.342E-02
DAV: 16 -0.846468011463E+03 -0.26270E-02 -0.49115E-04 3084 0.526E-02 0.378E-02
DAV: 17 -0.846469118030E+03 -0.11066E-02 -0.23074E-04 3147 0.385E-02 0.258E-02
DAV: 18 -0.846469759457E+03 -0.64143E-03 -0.31335E-05 2436 0.190E-02 0.141E-02
DAV: 19 -0.846470378130E+03 -0.61867E-03 -0.43008E-05 2670 0.221E-02 0.713E-03
DAV: 20 -0.846470486777E+03 -0.10865E-03 -0.32204E-05 2697 0.142E-02 0.642E-03
DAV: 21 -0.846470534031E+03 -0.47254E-04 -0.33630E-06 1995 0.468E-03 0.560E-03
DAV: 22 -0.846470557865E+03 -0.23834E-04 -0.22390E-06 2004 0.340E-03 0.256E-03
DAV: 23 -0.846470566961E+03 -0.90959E-05 -0.15555E-06 1977 0.297E-03
1 F= -.84647057E+03 E0= -.84647443E+03 d E =0.115959E-01