./iterations/neb0_image08_iter28_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 0.423538029447E+04 0.42354E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.428150283743E+03 -0.46635E+04 -0.45644E+04 3366 0.329E+02
DAV: 3 -0.942780152256E+03 -0.51463E+03 -0.51241E+03 3120 0.118E+02
DAV: 4 -0.955054576966E+03 -0.12274E+02 -0.12229E+02 3192 0.196E+01
DAV: 5 -0.955453347358E+03 -0.39877E+00 -0.39826E+00 3192 0.319E+00 0.812E+01
DAV: 6 -0.847380770660E+03 0.10807E+03 -0.47089E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846889810368E+03 0.49096E+00 -0.14832E+01 3534 0.623E+00 0.147E+01
DAV: 8 -0.846515933270E+03 0.37388E+00 -0.10300E+00 3138 0.248E+00 0.595E+00
DAV: 9 -0.846483114443E+03 0.32819E-01 -0.67218E-01 3453 0.232E+00 0.147E+00
DAV: 10 -0.846438495216E+03 0.44619E-01 -0.14108E-01 3354 0.934E-01 0.155E+00
DAV: 11 -0.846407679351E+03 0.30816E-01 -0.30096E-02 3129 0.466E-01 0.139E+00
DAV: 12 -0.846389940707E+03 0.17739E-01 -0.59929E-02 4308 0.559E-01 0.770E-01
DAV: 13 -0.846386003059E+03 0.39376E-02 -0.54911E-02 3264 0.504E-01 0.747E-01
DAV: 14 -0.846386447281E+03 -0.44422E-03 -0.12978E-01 3957 0.475E-01 0.116E+00
DAV: 15 -0.846371913880E+03 0.14533E-01 -0.71207E-03 3066 0.394E-01 0.349E-01
DAV: 16 -0.846373632927E+03 -0.17190E-02 -0.18404E-02 3264 0.286E-01 0.408E-01
DAV: 17 -0.846372358358E+03 0.12746E-02 -0.71479E-03 3282 0.177E-01 0.174E-01
DAV: 18 -0.846374162355E+03 -0.18040E-02 -0.33197E-03 3012 0.166E-01 0.203E-01
DAV: 19 -0.846376546168E+03 -0.23838E-02 -0.18891E-03 3165 0.120E-01 0.850E-02
DAV: 20 -0.846380006389E+03 -0.34602E-02 -0.21431E-03 3120 0.109E-01 0.189E-01
DAV: 21 -0.846382274335E+03 -0.22679E-02 -0.10971E-03 3093 0.686E-02 0.888E-02
DAV: 22 -0.846383615700E+03 -0.13414E-02 -0.28428E-04 3147 0.423E-02 0.442E-02
DAV: 23 -0.846384492771E+03 -0.87707E-03 -0.22439E-04 3255 0.386E-02 0.431E-02
DAV: 24 -0.846385177349E+03 -0.68458E-03 -0.96387E-05 3075 0.252E-02 0.232E-02
DAV: 25 -0.846385591657E+03 -0.41431E-03 -0.37317E-05 2319 0.143E-02 0.196E-02
DAV: 26 -0.846385841600E+03 -0.24994E-03 -0.19510E-05 2013 0.119E-02 0.665E-03
DAV: 27 -0.846385969461E+03 -0.12786E-03 -0.13154E-05 1977 0.825E-03 0.685E-03
DAV: 28 -0.846386015761E+03 -0.46300E-04 -0.39125E-06 1986 0.576E-03 0.630E-03
DAV: 29 -0.846386040979E+03 -0.25218E-04 -0.32061E-06 1968 0.451E-03 0.414E-03
DAV: 30 -0.846386050775E+03 -0.97957E-05 -0.14259E-06 1986 0.303E-03
1 F= -.84638605E+03 E0= -.84643274E+03 d E =0.140055E+00