iterations/neb0_image02_iter11_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 0.364110130014E+03 0.36411E+03 -0.14265E+04 624 0.799E+02
DAV: 2 0.331527662370E+01 -0.36079E+03 -0.34770E+03 847 0.194E+02
DAV: 3 -0.950187209776E+02 -0.98334E+02 -0.97994E+02 680 0.115E+02
DAV: 4 -0.995237881763E+02 -0.45051E+01 -0.44956E+01 696 0.278E+01
DAV: 5 -0.996140251325E+02 -0.90237E-01 -0.90178E-01 736 0.350E+00 0.220E+01
DAV: 6 -0.910183589961E+02 0.85957E+01 -0.30860E+01 720 0.298E+01 0.115E+01
DAV: 7 -0.901996839176E+02 0.81868E+00 -0.17469E+00 712 0.641E+00 0.481E+00
DAV: 8 -0.898174314288E+02 0.38225E+00 -0.60576E-01 728 0.446E+00 0.165E+00
DAV: 9 -0.897337947292E+02 0.83637E-01 -0.13108E-01 720 0.163E+00 0.444E-01
DAV: 10 -0.897272907863E+02 0.65039E-02 -0.39606E-02 720 0.111E+00 0.309E-01
DAV: 11 -0.897308540857E+02 -0.35633E-02 -0.58767E-03 624 0.489E-01 0.131E-01
DAV: 12 -0.897340322786E+02 -0.31782E-02 -0.49811E-03 624 0.348E-01 0.114E-01
DAV: 13 -0.897375280481E+02 -0.34958E-02 -0.14673E-03 900 0.311E-01 0.752E-02
DAV: 14 -0.897400976614E+02 -0.25696E-02 -0.82991E-04 672 0.126E-01 0.499E-02
DAV: 15 -0.897423739978E+02 -0.22763E-02 -0.37890E-04 717 0.113E-01 0.224E-02
DAV: 16 -0.897437737019E+02 -0.13997E-02 -0.17485E-04 677 0.668E-02 0.241E-02
DAV: 17 -0.897443245122E+02 -0.55081E-03 -0.78131E-05 816 0.599E-02 0.123E-02
DAV: 18 -0.897447617981E+02 -0.43729E-03 -0.80364E-05 661 0.458E-02 0.114E-02
DAV: 19 -0.897448300552E+02 -0.68257E-04 -0.57698E-06 496 0.239E-02 0.674E-03
DAV: 20 -0.897449281222E+02 -0.98067E-04 -0.42846E-05 602 0.379E-02 0.908E-03
DAV: 21 -0.897449533491E+02 -0.25227E-04 -0.76355E-06 504 0.292E-02 0.292E-03
DAV: 22 -0.897449716383E+02 -0.18289E-04 -0.10378E-05 429 0.160E-02 0.225E-03
DAV: 23 -0.897449793516E+02 -0.77133E-05 -0.23536E-06 488 0.718E-03
1 F= -.89744979E+02 E0= -.89752568E+02 d E =0.227657E-01