./iterations/neb0_image06_iter184_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 0.371277387489E+03 0.37128E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.387860741521E+01 -0.36740E+03 -0.35540E+03 869 0.193E+02
DAV: 3 -0.960384864141E+02 -0.99917E+02 -0.99574E+02 693 0.116E+02
DAV: 4 -0.100516659830E+03 -0.44782E+01 -0.44664E+01 720 0.278E+01
DAV: 5 -0.100604941869E+03 -0.88282E-01 -0.88241E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.920502972100E+02 0.85546E+01 -0.30552E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912144215891E+02 0.83588E+00 -0.17203E+00 728 0.624E+00 0.481E+00
DAV: 8 -0.908365547198E+02 0.37787E+00 -0.55418E-01 712 0.414E+00 0.165E+00
DAV: 9 -0.907490336460E+02 0.87521E-01 -0.12675E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907389623368E+02 0.10071E-01 -0.36506E-02 736 0.949E-01 0.284E-01
DAV: 11 -0.907429957113E+02 -0.40334E-02 -0.90389E-03 596 0.483E-01 0.140E-01
DAV: 12 -0.907459198049E+02 -0.29241E-02 -0.21379E-03 623 0.256E-01 0.824E-02
DAV: 13 -0.907497674977E+02 -0.38477E-02 -0.13725E-03 636 0.169E-01 0.631E-02
DAV: 14 -0.907533291866E+02 -0.35617E-02 -0.11920E-03 728 0.236E-01 0.428E-02
DAV: 15 -0.907548765628E+02 -0.15474E-02 -0.24904E-04 736 0.934E-02 0.409E-02
DAV: 16 -0.907562438960E+02 -0.13673E-02 -0.36594E-04 666 0.115E-01 0.179E-02
DAV: 17 -0.907570324669E+02 -0.78857E-03 -0.12116E-04 704 0.588E-02 0.140E-02
DAV: 18 -0.907572483357E+02 -0.21587E-03 -0.20164E-05 512 0.230E-02 0.826E-03
DAV: 19 -0.907574042290E+02 -0.15589E-03 -0.26497E-05 484 0.215E-02 0.295E-03
DAV: 20 -0.907574205577E+02 -0.16329E-04 -0.16974E-06 528 0.898E-03 0.157E-03
DAV: 21 -0.907574548319E+02 -0.34274E-04 -0.62018E-06 389 0.119E-02 0.268E-03
DAV: 22 -0.907574552723E+02 -0.44047E-06 -0.86548E-07 536 0.784E-03
1 F= -.90757455E+02 E0= -.90761750E+02 d E =0.128853E-01