iterations/neb0_image02_iter152_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 0.363720857976E+03 0.36372E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.270275731688E+01 -0.36102E+03 -0.34799E+03 845 0.195E+02
DAV: 3 -0.955507717815E+02 -0.98254E+02 -0.97920E+02 656 0.116E+02
DAV: 4 -0.100192854175E+03 -0.46421E+01 -0.46306E+01 720 0.290E+01
DAV: 5 -0.100284007281E+03 -0.91153E-01 -0.91121E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916745007023E+02 0.86095E+01 -0.30944E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908610721146E+02 0.81343E+00 -0.18343E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904798958883E+02 0.38118E+00 -0.56082E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903933102053E+02 0.86586E-01 -0.13684E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903875609530E+02 0.57493E-02 -0.48913E-02 704 0.129E+00 0.328E-01
DAV: 11 -0.903909625886E+02 -0.34016E-02 -0.71715E-03 616 0.521E-01 0.143E-01
DAV: 12 -0.903942536820E+02 -0.32911E-02 -0.76651E-03 632 0.478E-01 0.135E-01
DAV: 13 -0.903968928189E+02 -0.26391E-02 -0.18298E-03 965 0.350E-01 0.834E-02
DAV: 14 -0.903999335150E+02 -0.30407E-02 -0.13329E-03 650 0.171E-01 0.636E-02
DAV: 15 -0.904020239982E+02 -0.20905E-02 -0.39718E-04 669 0.109E-01 0.491E-02
DAV: 16 -0.904034901961E+02 -0.14662E-02 -0.80837E-04 664 0.166E-01 0.338E-02
DAV: 17 -0.904043182676E+02 -0.82807E-03 -0.14338E-04 704 0.802E-02 0.240E-02
DAV: 18 -0.904045781032E+02 -0.25984E-03 -0.72856E-05 680 0.409E-02 0.971E-03
DAV: 19 -0.904047543590E+02 -0.17626E-03 -0.42445E-05 642 0.324E-02 0.711E-03
DAV: 20 -0.904047722264E+02 -0.17867E-04 -0.42980E-06 512 0.169E-02 0.529E-03
DAV: 21 -0.904048132080E+02 -0.40982E-04 -0.73134E-06 414 0.142E-02 0.476E-03
DAV: 22 -0.904048294951E+02 -0.16287E-04 -0.31219E-06 480 0.118E-02 0.248E-03
DAV: 23 -0.904048323189E+02 -0.28238E-05 -0.40396E-06 504 0.118E-02
1 F= -.90404832E+02 E0= -.90411220E+02 d E =0.191638E-01