iterations/neb0_image03_iter201_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 0.363965521215E+03 0.36397E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.692310782238E-01 -0.36403E+03 -0.35412E+03 855 0.195E+02
DAV: 3 -0.960130382081E+02 -0.95944E+02 -0.95634E+02 661 0.115E+02
DAV: 4 -0.100274475986E+03 -0.42614E+01 -0.42496E+01 712 0.277E+01
DAV: 5 -0.100358510543E+03 -0.84035E-01 -0.83999E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917197396124E+02 0.86388E+01 -0.31036E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908793101452E+02 0.84043E+00 -0.18083E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.904861046926E+02 0.39321E+00 -0.55644E-01 696 0.425E+00 0.170E+00
DAV: 9 -0.903908784179E+02 0.95226E-01 -0.12869E-01 712 0.177E+00 0.441E-01
DAV: 10 -0.903831618050E+02 0.77166E-02 -0.39893E-02 728 0.107E+00 0.327E-01
DAV: 11 -0.903869072453E+02 -0.37454E-02 -0.93616E-03 688 0.646E-01 0.141E-01
DAV: 12 -0.903891966011E+02 -0.22894E-02 -0.36109E-03 632 0.375E-01 0.107E-01
DAV: 13 -0.903939910573E+02 -0.47945E-02 -0.27969E-03 690 0.281E-01 0.897E-02
DAV: 14 -0.903978755952E+02 -0.38845E-02 -0.11734E-03 666 0.183E-01 0.348E-02
DAV: 15 -0.903998449184E+02 -0.19693E-02 -0.30486E-04 656 0.809E-02 0.255E-02
DAV: 16 -0.904015762168E+02 -0.17313E-02 -0.21526E-04 669 0.764E-02 0.101E-02
DAV: 17 -0.904023238885E+02 -0.74767E-03 -0.90898E-05 656 0.392E-02 0.126E-02
DAV: 18 -0.904025545131E+02 -0.23062E-03 -0.38200E-05 616 0.384E-02 0.546E-03
DAV: 19 -0.904026515812E+02 -0.97068E-04 -0.14474E-05 456 0.217E-02 0.671E-03
DAV: 20 -0.904026829181E+02 -0.31337E-04 -0.49017E-06 488 0.133E-02 0.409E-03
DAV: 21 -0.904026991253E+02 -0.16207E-04 -0.58873E-06 434 0.153E-02 0.190E-03
DAV: 22 -0.904027163531E+02 -0.17228E-04 -0.24238E-06 437 0.712E-03 0.128E-03
DAV: 23 -0.904027192780E+02 -0.29249E-05 -0.70184E-07 504 0.325E-03
1 F= -.90402719E+02 E0= -.90410770E+02 d E =0.241530E-01