./iterations/neb0_image01_iter195_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 0.365786635375E+03 0.36579E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.321933052123E+01 -0.36257E+03 -0.34960E+03 839 0.196E+02
DAV: 3 -0.955998523137E+02 -0.98819E+02 -0.98472E+02 669 0.116E+02
DAV: 4 -0.100233139612E+03 -0.46333E+01 -0.46222E+01 696 0.287E+01
DAV: 5 -0.100326008592E+03 -0.92869E-01 -0.92820E-01 728 0.362E+00 0.222E+01
DAV: 6 -0.916918384580E+02 0.86342E+01 -0.30964E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908846049703E+02 0.80723E+00 -0.18277E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089576886E+02 0.37565E+00 -0.55481E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904269414158E+02 0.82016E-01 -0.13247E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904224115441E+02 0.45299E-02 -0.46954E-02 712 0.124E+00 0.322E-01
DAV: 11 -0.904265019611E+02 -0.40904E-02 -0.77375E-03 608 0.563E-01 0.121E-01
DAV: 12 -0.904299038993E+02 -0.34019E-02 -0.65302E-03 629 0.450E-01 0.132E-01
DAV: 13 -0.904323249594E+02 -0.24211E-02 -0.16361E-03 861 0.310E-01 0.747E-02
DAV: 14 -0.904354862656E+02 -0.31613E-02 -0.14605E-03 634 0.192E-01 0.685E-02
DAV: 15 -0.904370999298E+02 -0.16137E-02 -0.30067E-04 680 0.112E-01 0.546E-02
DAV: 16 -0.904384839074E+02 -0.13840E-02 -0.10929E-03 661 0.203E-01 0.388E-02
DAV: 17 -0.904392908807E+02 -0.80697E-03 -0.14295E-04 664 0.826E-02 0.333E-02
DAV: 18 -0.904396101098E+02 -0.31923E-03 -0.87581E-05 680 0.469E-02 0.177E-02
DAV: 19 -0.904397865657E+02 -0.17646E-03 -0.89883E-05 637 0.526E-02 0.948E-03
DAV: 20 -0.904398148562E+02 -0.28291E-04 -0.82087E-06 512 0.195E-02 0.976E-03
DAV: 21 -0.904398529142E+02 -0.38058E-04 -0.73390E-06 404 0.150E-02 0.706E-03
DAV: 22 -0.904398637869E+02 -0.10873E-04 -0.52292E-06 480 0.175E-02 0.277E-03
DAV: 23 -0.904398671866E+02 -0.33997E-05 -0.54594E-06 496 0.135E-02
1 F= -.90439867E+02 E0= -.90445461E+02 d E =0.167823E-01