iterations/neb0_image01_iter194_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 0.365766636512E+03 0.36577E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.321689715885E+01 -0.36255E+03 -0.34959E+03 839 0.196E+02
DAV: 3 -0.955990878484E+02 -0.98816E+02 -0.98468E+02 669 0.116E+02
DAV: 4 -0.100232604963E+03 -0.46335E+01 -0.46224E+01 696 0.287E+01
DAV: 5 -0.100325489319E+03 -0.92884E-01 -0.92835E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916912635642E+02 0.86342E+01 -0.30970E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908845778668E+02 0.80669E+00 -0.18281E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089389163E+02 0.37564E+00 -0.55442E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904268605814E+02 0.82078E-01 -0.13255E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904223137479E+02 0.45468E-02 -0.46947E-02 712 0.124E+00 0.322E-01
DAV: 11 -0.904264163295E+02 -0.41026E-02 -0.77843E-03 608 0.566E-01 0.121E-01
DAV: 12 -0.904298012552E+02 -0.33849E-02 -0.64941E-03 629 0.448E-01 0.132E-01
DAV: 13 -0.904322223040E+02 -0.24210E-02 -0.16347E-03 861 0.310E-01 0.746E-02
DAV: 14 -0.904353961225E+02 -0.31738E-02 -0.14596E-03 634 0.192E-01 0.685E-02
DAV: 15 -0.904369962086E+02 -0.16001E-02 -0.29871E-04 696 0.112E-01 0.546E-02
DAV: 16 -0.904383827130E+02 -0.13865E-02 -0.10990E-03 661 0.204E-01 0.389E-02
DAV: 17 -0.904391882257E+02 -0.80551E-03 -0.14366E-04 664 0.821E-02 0.337E-02
DAV: 18 -0.904395038196E+02 -0.31559E-03 -0.84250E-05 680 0.461E-02 0.184E-02
DAV: 19 -0.904396851826E+02 -0.18136E-03 -0.94249E-05 634 0.543E-02 0.944E-03
DAV: 20 -0.904397140744E+02 -0.28892E-04 -0.89240E-06 512 0.202E-02 0.986E-03
DAV: 21 -0.904397517467E+02 -0.37672E-04 -0.73460E-06 404 0.151E-02 0.725E-03
DAV: 22 -0.904397633830E+02 -0.11636E-04 -0.52885E-06 480 0.181E-02 0.290E-03
DAV: 23 -0.904397667370E+02 -0.33540E-05 -0.60650E-06 496 0.141E-02
1 F= -.90439767E+02 E0= -.90445315E+02 d E =0.166442E-01