iterations/neb0_image04_iter197_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 0.362721819317E+03 0.36272E+03 -0.14355E+04 640 0.799E+02
DAV: 2 0.143763217798E+01 -0.36128E+03 -0.34849E+03 853 0.193E+02
DAV: 3 -0.961787943492E+02 -0.97616E+02 -0.97321E+02 685 0.115E+02
DAV: 4 -0.100266613042E+03 -0.40878E+01 -0.40782E+01 688 0.268E+01
DAV: 5 -0.100345061350E+03 -0.78448E-01 -0.78419E-01 728 0.334E+00 0.223E+01
DAV: 6 -0.916534930519E+02 0.86916E+01 -0.31127E+01 698 0.298E+01 0.116E+01
DAV: 7 -0.907955058326E+02 0.85799E+00 -0.17836E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903845134633E+02 0.41099E+00 -0.56192E-01 704 0.441E+00 0.171E+00
DAV: 9 -0.902932698346E+02 0.91244E-01 -0.12726E-01 720 0.212E+00 0.543E-01
DAV: 10 -0.902794678201E+02 0.13802E-01 -0.38913E-02 712 0.996E-01 0.377E-01
DAV: 11 -0.902819006371E+02 -0.24328E-02 -0.14605E-02 784 0.888E-01 0.344E-01
DAV: 12 -0.902822882734E+02 -0.38764E-03 -0.49711E-03 744 0.670E-01 0.126E-01
DAV: 13 -0.902864965802E+02 -0.42083E-02 -0.38416E-03 620 0.344E-01 0.103E-01
DAV: 14 -0.902897859519E+02 -0.32894E-02 -0.71541E-04 632 0.167E-01 0.605E-02
DAV: 15 -0.902934475043E+02 -0.36616E-02 -0.96768E-04 650 0.182E-01 0.335E-02
DAV: 16 -0.902950396964E+02 -0.15922E-02 -0.15407E-04 696 0.963E-02 0.248E-02
DAV: 17 -0.902968319422E+02 -0.17922E-02 -0.45845E-04 649 0.112E-01 0.277E-02
DAV: 18 -0.902970555151E+02 -0.22357E-03 -0.62794E-05 768 0.659E-02 0.129E-02
DAV: 19 -0.902973332801E+02 -0.27776E-03 -0.11373E-04 641 0.624E-02 0.146E-02
DAV: 20 -0.902974365765E+02 -0.10330E-03 -0.10794E-05 477 0.234E-02 0.111E-02
DAV: 21 -0.902975169465E+02 -0.80370E-04 -0.33520E-05 564 0.338E-02 0.381E-03
DAV: 22 -0.902975433427E+02 -0.26396E-04 -0.58845E-06 488 0.132E-02 0.418E-03
DAV: 23 -0.902975521268E+02 -0.87841E-05 -0.13486E-06 464 0.548E-03
1 F= -.90297552E+02 E0= -.90305883E+02 d E =0.249941E-01