./iterations/neb0_image02_iter98_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 0.367780024331E+03 0.36778E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.466655196149E+01 -0.36311E+03 -0.34840E+03 834 0.195E+02
DAV: 3 -0.954757953777E+02 -0.10014E+03 -0.99809E+02 672 0.116E+02
DAV: 4 -0.100159269838E+03 -0.46835E+01 -0.46727E+01 704 0.287E+01
DAV: 5 -0.100252200286E+03 -0.92930E-01 -0.92887E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916602658766E+02 0.85919E+01 -0.30852E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908387138740E+02 0.82155E+00 -0.18213E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904530782087E+02 0.38564E+00 -0.55903E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903637545209E+02 0.89324E-01 -0.13891E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903573922623E+02 0.63623E-02 -0.46709E-02 712 0.128E+00 0.322E-01
DAV: 11 -0.903610099364E+02 -0.36177E-02 -0.71565E-03 616 0.483E-01 0.150E-01
DAV: 12 -0.903643008581E+02 -0.32909E-02 -0.69604E-03 616 0.465E-01 0.127E-01
DAV: 13 -0.903672350716E+02 -0.29342E-02 -0.13546E-03 968 0.315E-01 0.812E-02
DAV: 14 -0.903702416521E+02 -0.30066E-02 -0.13436E-03 634 0.173E-01 0.549E-02
DAV: 15 -0.903726534081E+02 -0.24118E-02 -0.42902E-04 688 0.119E-01 0.411E-02
DAV: 16 -0.903739254704E+02 -0.12721E-02 -0.51859E-04 656 0.126E-01 0.298E-02
DAV: 17 -0.903748312371E+02 -0.90577E-03 -0.17081E-04 839 0.854E-02 0.173E-02
DAV: 18 -0.903749683492E+02 -0.13711E-03 -0.28843E-05 648 0.292E-02 0.110E-02
DAV: 19 -0.903752073463E+02 -0.23900E-03 -0.46072E-05 625 0.330E-02 0.456E-03
DAV: 20 -0.903752344390E+02 -0.27093E-04 -0.24926E-06 496 0.975E-03 0.440E-03
DAV: 21 -0.903752812686E+02 -0.46830E-04 -0.66184E-06 417 0.153E-02 0.312E-03
DAV: 22 -0.903752984730E+02 -0.17204E-04 -0.34899E-06 477 0.921E-03 0.241E-03
DAV: 23 -0.903753016794E+02 -0.32064E-05 -0.14341E-06 488 0.704E-03
1 F= -.90375302E+02 E0= -.90380996E+02 d E =0.170818E-01