iterations/neb0_image01_iter136_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 0.365898296136E+03 0.36590E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.328030217245E+01 -0.36262E+03 -0.34954E+03 836 0.195E+02
DAV: 3 -0.956378005997E+02 -0.98918E+02 -0.98572E+02 666 0.116E+02
DAV: 4 -0.100202293760E+03 -0.45645E+01 -0.45539E+01 704 0.287E+01
DAV: 5 -0.100293042979E+03 -0.90749E-01 -0.90701E-01 744 0.361E+00 0.222E+01
DAV: 6 -0.916789681907E+02 0.86141E+01 -0.31107E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908770675365E+02 0.80190E+00 -0.18249E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.904998441715E+02 0.37722E+00 -0.55522E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904166741764E+02 0.83170E-01 -0.13540E-01 712 0.164E+00 0.424E-01
DAV: 10 -0.904117671425E+02 0.49070E-02 -0.45553E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904156789883E+02 -0.39118E-02 -0.66125E-03 608 0.493E-01 0.135E-01
DAV: 12 -0.904193140460E+02 -0.36351E-02 -0.70390E-03 632 0.488E-01 0.131E-01
DAV: 13 -0.904218540565E+02 -0.25400E-02 -0.15683E-03 848 0.315E-01 0.741E-02
DAV: 14 -0.904248133887E+02 -0.29593E-02 -0.13582E-03 642 0.177E-01 0.599E-02
DAV: 15 -0.904267536572E+02 -0.19403E-02 -0.36694E-04 672 0.113E-01 0.483E-02
DAV: 16 -0.904281232676E+02 -0.13696E-02 -0.82463E-04 661 0.173E-01 0.345E-02
DAV: 17 -0.904288885279E+02 -0.76526E-03 -0.12940E-04 669 0.809E-02 0.267E-02
DAV: 18 -0.904291602995E+02 -0.27177E-03 -0.10005E-04 664 0.509E-02 0.106E-02
DAV: 19 -0.904293186229E+02 -0.15832E-03 -0.40101E-05 604 0.314E-02 0.702E-03
DAV: 20 -0.904293432566E+02 -0.24634E-04 -0.30448E-06 504 0.138E-02 0.742E-03
DAV: 21 -0.904293834806E+02 -0.40224E-04 -0.74052E-06 401 0.158E-02 0.455E-03
DAV: 22 -0.904293915380E+02 -0.80573E-05 -0.48525E-06 480 0.138E-02
1 F= -.90429392E+02 E0= -.90434777E+02 d E =0.161578E-01