iterations/neb0_image04_iter217_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 0.365785912441E+03 0.36579E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.101506506185E+01 -0.36477E+03 -0.35315E+03 869 0.194E+02
DAV: 3 -0.959987860145E+02 -0.97014E+02 -0.96713E+02 656 0.116E+02
DAV: 4 -0.100321482799E+03 -0.43227E+01 -0.43138E+01 720 0.282E+01
DAV: 5 -0.100405079263E+03 -0.83596E-01 -0.83570E-01 736 0.353E+00 0.224E+01
DAV: 6 -0.916777534785E+02 0.87273E+01 -0.31130E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908099605719E+02 0.86779E+00 -0.17906E+00 704 0.644E+00 0.484E+00
DAV: 8 -0.903967110297E+02 0.41325E+00 -0.55437E-01 704 0.446E+00 0.173E+00
DAV: 9 -0.903052338703E+02 0.91477E-01 -0.14232E-01 720 0.201E+00 0.535E-01
DAV: 10 -0.902924179491E+02 0.12816E-01 -0.36379E-02 704 0.986E-01 0.346E-01
DAV: 11 -0.902942141808E+02 -0.17962E-02 -0.10295E-02 704 0.573E-01 0.235E-01
DAV: 12 -0.902966216986E+02 -0.24075E-02 -0.30737E-03 701 0.511E-01 0.133E-01
DAV: 13 -0.902999783718E+02 -0.33567E-02 -0.24137E-03 615 0.320E-01 0.973E-02
DAV: 14 -0.903045641216E+02 -0.45857E-02 -0.22519E-03 631 0.256E-01 0.547E-02
DAV: 15 -0.903062055990E+02 -0.16415E-02 -0.32132E-04 672 0.964E-02 0.470E-02
DAV: 16 -0.903087635802E+02 -0.25580E-02 -0.83448E-04 735 0.193E-01 0.363E-02
DAV: 17 -0.903095397497E+02 -0.77617E-03 -0.13269E-04 680 0.704E-02 0.339E-02
DAV: 18 -0.903102023473E+02 -0.66260E-03 -0.16298E-04 719 0.717E-02 0.187E-02
DAV: 19 -0.903104887078E+02 -0.28636E-03 -0.59741E-05 672 0.492E-02 0.813E-03
DAV: 20 -0.903106629374E+02 -0.17423E-03 -0.19468E-05 471 0.221E-02 0.663E-03
DAV: 21 -0.903107448778E+02 -0.81940E-04 -0.83730E-06 471 0.123E-02 0.476E-03
DAV: 22 -0.903107922531E+02 -0.47375E-04 -0.10885E-05 423 0.174E-02 0.209E-03
DAV: 23 -0.903107988275E+02 -0.65744E-05 -0.21328E-06 488 0.786E-03
1 F= -.90310799E+02 E0= -.90319206E+02 d E =0.252213E-01