./iterations/neb0_image05_iter84_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 0.373103765847E+03 0.37310E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.341311894167E+01 -0.36969E+03 -0.35740E+03 885 0.194E+02
DAV: 3 -0.941050247713E+02 -0.97518E+02 -0.97174E+02 637 0.116E+02
DAV: 4 -0.986682867340E+02 -0.45633E+01 -0.45521E+01 696 0.296E+01
DAV: 5 -0.987676564079E+02 -0.99370E-01 -0.99326E-01 728 0.386E+00 0.218E+01
DAV: 6 -0.904903574953E+02 0.82773E+01 -0.28687E+01 709 0.289E+01 0.112E+01
DAV: 7 -0.896275740477E+02 0.86278E+00 -0.18023E+00 712 0.679E+00 0.468E+00
DAV: 8 -0.892395497271E+02 0.38802E+00 -0.62095E-01 720 0.448E+00 0.155E+00
DAV: 9 -0.891562311499E+02 0.83319E-01 -0.12324E-01 728 0.164E+00 0.445E-01
DAV: 10 -0.891442941260E+02 0.11937E-01 -0.48602E-02 720 0.119E+00 0.335E-01
DAV: 11 -0.891456956627E+02 -0.14015E-02 -0.97688E-03 637 0.567E-01 0.118E-01
DAV: 12 -0.891479741129E+02 -0.22785E-02 -0.34503E-03 688 0.316E-01 0.121E-01
DAV: 13 -0.891534651799E+02 -0.54911E-02 -0.18040E-03 834 0.301E-01 0.646E-02
DAV: 14 -0.891561000383E+02 -0.26349E-02 -0.77774E-04 666 0.130E-01 0.449E-02
DAV: 15 -0.891591885540E+02 -0.30885E-02 -0.67720E-04 733 0.147E-01 0.322E-02
DAV: 16 -0.891601677068E+02 -0.97915E-03 -0.94382E-05 704 0.543E-02 0.232E-02
DAV: 17 -0.891612142280E+02 -0.10465E-02 -0.19253E-04 655 0.725E-02 0.112E-02
DAV: 18 -0.891616477261E+02 -0.43350E-03 -0.45698E-05 605 0.381E-02 0.710E-03
DAV: 19 -0.891617535239E+02 -0.10580E-03 -0.12897E-05 480 0.212E-02 0.414E-03
DAV: 20 -0.891618461968E+02 -0.92673E-04 -0.16690E-05 468 0.216E-02 0.466E-03
DAV: 21 -0.891618694290E+02 -0.23232E-04 -0.32141E-06 480 0.100E-02 0.357E-03
DAV: 22 -0.891618760633E+02 -0.66343E-05 -0.33767E-06 453 0.115E-02
1 F= -.89161876E+02 E0= -.89165882E+02 d E =0.120172E-01