iterations/neb0_image06_iter268_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 0.373571950873E+03 0.37357E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.610086249802E+01 -0.36747E+03 -0.35478E+03 845 0.194E+02
DAV: 3 -0.948898019984E+02 -0.10099E+03 -0.10058E+03 688 0.117E+02
DAV: 4 -0.995494291291E+02 -0.46596E+01 -0.46448E+01 736 0.281E+01
DAV: 5 -0.996449049518E+02 -0.95476E-01 -0.95431E-01 712 0.356E+00 0.223E+01
DAV: 6 -0.911694461535E+02 0.84755E+01 -0.29971E+01 696 0.304E+01 0.117E+01
DAV: 7 -0.903706144892E+02 0.79883E+00 -0.17410E+00 696 0.637E+00 0.480E+00
DAV: 8 -0.899999372546E+02 0.37068E+00 -0.54608E-01 712 0.413E+00 0.170E+00
DAV: 9 -0.899085890304E+02 0.91348E-01 -0.13050E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.898989572247E+02 0.96318E-02 -0.35260E-02 781 0.923E-01 0.291E-01
DAV: 11 -0.899031928388E+02 -0.42356E-02 -0.13307E-02 605 0.669E-01 0.194E-01
DAV: 12 -0.899039524024E+02 -0.75956E-03 -0.38421E-03 744 0.392E-01 0.100E-01
DAV: 13 -0.899087008516E+02 -0.47484E-02 -0.34606E-03 595 0.342E-01 0.904E-02
DAV: 14 -0.899100999307E+02 -0.13991E-02 -0.45968E-04 816 0.173E-01 0.532E-02
DAV: 15 -0.899134626270E+02 -0.33627E-02 -0.11516E-03 643 0.197E-01 0.409E-02
DAV: 16 -0.899152345972E+02 -0.17720E-02 -0.23974E-04 816 0.111E-01 0.186E-02
DAV: 17 -0.899161625084E+02 -0.92791E-03 -0.16857E-04 666 0.647E-02 0.155E-02
DAV: 18 -0.899166440776E+02 -0.48157E-03 -0.50803E-05 583 0.326E-02 0.125E-02
DAV: 19 -0.899167605525E+02 -0.11647E-03 -0.20059E-05 568 0.304E-02 0.467E-03
DAV: 20 -0.899168416912E+02 -0.81139E-04 -0.11646E-05 422 0.180E-02 0.210E-03
DAV: 21 -0.899168705296E+02 -0.28838E-04 -0.36986E-06 466 0.786E-03 0.291E-03
DAV: 22 -0.899168809190E+02 -0.10389E-04 -0.13525E-06 404 0.705E-03 0.174E-03
DAV: 23 -0.899168846927E+02 -0.37737E-05 -0.13531E-06 474 0.600E-03
1 F= -.89916885E+02 E0= -.89921304E+02 d E =0.132569E-01