./iterations/neb0_image01_iter144_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 0.365433248389E+03 0.36543E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.320994320150E+01 -0.36222E+03 -0.34933E+03 836 0.195E+02
DAV: 3 -0.956638848258E+02 -0.98874E+02 -0.98526E+02 674 0.116E+02
DAV: 4 -0.100187695990E+03 -0.45238E+01 -0.45128E+01 712 0.283E+01
DAV: 5 -0.100277357978E+03 -0.89662E-01 -0.89616E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916700931987E+02 0.86073E+01 -0.31113E+01 677 0.299E+01 0.116E+01
DAV: 7 -0.908763354515E+02 0.79376E+00 -0.18255E+00 712 0.640E+00 0.484E+00
DAV: 8 -0.905005939279E+02 0.37574E+00 -0.55207E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904181540749E+02 0.82440E-01 -0.13406E-01 720 0.165E+00 0.422E-01
DAV: 10 -0.904133761510E+02 0.47779E-02 -0.46851E-02 720 0.124E+00 0.320E-01
DAV: 11 -0.904173853423E+02 -0.40092E-02 -0.73882E-03 608 0.540E-01 0.125E-01
DAV: 12 -0.904208832682E+02 -0.34979E-02 -0.67178E-03 624 0.462E-01 0.132E-01
DAV: 13 -0.904233013283E+02 -0.24181E-02 -0.15666E-03 856 0.309E-01 0.744E-02
DAV: 14 -0.904264171321E+02 -0.31158E-02 -0.14517E-03 631 0.190E-01 0.657E-02
DAV: 15 -0.904281500389E+02 -0.17329E-02 -0.33254E-04 680 0.113E-01 0.535E-02
DAV: 16 -0.904294985470E+02 -0.13485E-02 -0.10048E-03 653 0.195E-01 0.367E-02
DAV: 17 -0.904303028322E+02 -0.80429E-03 -0.13980E-04 669 0.814E-02 0.315E-02
DAV: 18 -0.904306062268E+02 -0.30339E-03 -0.87650E-05 661 0.474E-02 0.155E-02
DAV: 19 -0.904307808400E+02 -0.17461E-03 -0.72591E-05 647 0.458E-02 0.872E-03
DAV: 20 -0.904308067327E+02 -0.25893E-04 -0.61349E-06 512 0.179E-02 0.882E-03
DAV: 21 -0.904308459472E+02 -0.39215E-04 -0.72108E-06 404 0.150E-02 0.633E-03
DAV: 22 -0.904308570366E+02 -0.11089E-04 -0.48252E-06 480 0.158E-02 0.259E-03
DAV: 23 -0.904308597100E+02 -0.26734E-05 -0.39397E-06 504 0.117E-02
1 F= -.90430860E+02 E0= -.90436176E+02 d E =0.159490E-01