./iterations/neb0_image02_iter67_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 0.423423990992E+04 0.42342E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430490199320E+03 -0.46647E+04 -0.45631E+04 3366 0.329E+02
DAV: 3 -0.943386314595E+03 -0.51290E+03 -0.51069E+03 3120 0.117E+02
DAV: 4 -0.955578028419E+03 -0.12192E+02 -0.12147E+02 3183 0.195E+01
DAV: 5 -0.955978592846E+03 -0.40056E+00 -0.40003E+00 3201 0.320E+00 0.813E+01
DAV: 6 -0.847960788308E+03 0.10802E+03 -0.47051E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847493388735E+03 0.46740E+00 -0.14411E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847156510268E+03 0.33688E+00 -0.96198E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847108898957E+03 0.47611E-01 -0.40829E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847115596586E+03 -0.66976E-02 -0.72657E-02 3102 0.604E-01 0.595E-01
DAV: 11 -0.847115586133E+03 0.10453E-04 -0.66737E-03 3120 0.208E-01 0.338E-01
DAV: 12 -0.847117091211E+03 -0.15051E-02 -0.70036E-03 3048 0.241E-01 0.118E-01
DAV: 13 -0.847120682507E+03 -0.35913E-02 -0.44932E-03 3210 0.212E-01 0.135E-01
DAV: 14 -0.847124940333E+03 -0.42578E-02 -0.29271E-03 3111 0.142E-01 0.939E-02
DAV: 15 -0.847129759765E+03 -0.48194E-02 -0.11726E-03 3120 0.835E-02 0.347E-02
DAV: 16 -0.847132137661E+03 -0.23779E-02 -0.41776E-04 3111 0.479E-02 0.372E-02
DAV: 17 -0.847133221562E+03 -0.10839E-02 -0.21212E-04 3093 0.356E-02 0.254E-02
DAV: 18 -0.847133938757E+03 -0.71720E-03 -0.30925E-05 2463 0.196E-02 0.134E-02
DAV: 19 -0.847134496164E+03 -0.55741E-03 -0.39402E-05 2715 0.212E-02 0.698E-03
DAV: 20 -0.847134603735E+03 -0.10757E-03 -0.30041E-05 2625 0.142E-02 0.640E-03
DAV: 21 -0.847134639586E+03 -0.35850E-04 -0.34426E-06 2004 0.432E-03 0.570E-03
DAV: 22 -0.847134659406E+03 -0.19820E-04 -0.19290E-06 1986 0.322E-03 0.268E-03
DAV: 23 -0.847134668500E+03 -0.90937E-05 -0.16083E-06 1986 0.315E-03
1 F= -.84713467E+03 E0= -.84713853E+03 d E =0.115958E-01