./iterations/neb0_image08_iter75_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.376702225463E+03 0.37670E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.386035676316E+01 -0.37284E+03 -0.35930E+03 869 0.196E+02
DAV: 3 -0.968469826919E+02 -0.10071E+03 -0.10038E+03 696 0.117E+02
DAV: 4 -0.101147265542E+03 -0.43003E+01 -0.42905E+01 696 0.272E+01
DAV: 5 -0.101231238575E+03 -0.83973E-01 -0.83937E-01 736 0.340E+00 0.228E+01
DAV: 6 -0.925805591183E+02 0.86507E+01 -0.30820E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917077518271E+02 0.87281E+00 -0.17007E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913270562176E+02 0.38070E+00 -0.55478E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912432334590E+02 0.83823E-01 -0.13062E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912338024010E+02 0.94311E-02 -0.48116E-02 728 0.114E+00 0.311E-01
DAV: 11 -0.912386101668E+02 -0.48078E-02 -0.14887E-02 616 0.632E-01 0.161E-01
DAV: 12 -0.912415067178E+02 -0.28966E-02 -0.32556E-03 623 0.250E-01 0.132E-01
DAV: 13 -0.912453816490E+02 -0.38749E-02 -0.23019E-03 685 0.275E-01 0.483E-02
DAV: 14 -0.912484842908E+02 -0.31026E-02 -0.52006E-04 664 0.117E-01 0.375E-02
DAV: 15 -0.912505882559E+02 -0.21040E-02 -0.18167E-04 653 0.615E-02 0.358E-02
DAV: 16 -0.912516683367E+02 -0.10801E-02 -0.35939E-04 650 0.940E-02 0.222E-02
DAV: 17 -0.912519348419E+02 -0.26651E-03 -0.40879E-05 624 0.442E-02 0.139E-02
DAV: 18 -0.912522024503E+02 -0.26761E-03 -0.62618E-05 620 0.364E-02 0.995E-03
DAV: 19 -0.912522321489E+02 -0.29699E-04 -0.72726E-06 520 0.232E-02 0.447E-03
DAV: 20 -0.912522697320E+02 -0.37583E-04 -0.15614E-05 398 0.237E-02 0.525E-03
DAV: 21 -0.912522893665E+02 -0.19635E-04 -0.29855E-06 472 0.935E-03 0.422E-03
DAV: 22 -0.912522949665E+02 -0.56000E-05 -0.29464E-06 426 0.120E-02
1 F= -.91252295E+02 E0= -.91257409E+02 d E =0.153431E-01