iterations/neb0_image01_iter227_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 0.365421200871E+03 0.36542E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.323302046452E+01 -0.36219E+03 -0.34913E+03 839 0.196E+02
DAV: 3 -0.954162229776E+02 -0.98649E+02 -0.98304E+02 645 0.116E+02
DAV: 4 -0.100217225853E+03 -0.48010E+01 -0.47893E+01 704 0.297E+01
DAV: 5 -0.100313243431E+03 -0.96018E-01 -0.95971E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916923394134E+02 0.86209E+01 -0.30988E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908895407261E+02 0.80280E+00 -0.18236E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905132367210E+02 0.37630E+00 -0.55309E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904303490798E+02 0.82888E-01 -0.13340E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904257449867E+02 0.46041E-02 -0.46780E-02 720 0.124E+00 0.320E-01
DAV: 11 -0.904297222730E+02 -0.39773E-02 -0.72696E-03 608 0.537E-01 0.126E-01
DAV: 12 -0.904332794718E+02 -0.35572E-02 -0.69438E-03 629 0.471E-01 0.135E-01
DAV: 13 -0.904356650100E+02 -0.23855E-02 -0.17360E-03 861 0.320E-01 0.746E-02
DAV: 14 -0.904387737652E+02 -0.31088E-02 -0.14148E-03 642 0.186E-01 0.661E-02
DAV: 15 -0.904405162904E+02 -0.17425E-02 -0.32491E-04 680 0.110E-01 0.536E-02
DAV: 16 -0.904419150291E+02 -0.13987E-02 -0.10153E-03 669 0.195E-01 0.367E-02
DAV: 17 -0.904426973315E+02 -0.78230E-03 -0.13286E-04 672 0.773E-02 0.325E-02
DAV: 18 -0.904430161287E+02 -0.31880E-03 -0.10540E-04 664 0.537E-02 0.142E-02
DAV: 19 -0.904431684508E+02 -0.15232E-03 -0.59830E-05 661 0.408E-02 0.852E-03
DAV: 20 -0.904432029780E+02 -0.34527E-04 -0.42660E-06 488 0.152E-02 0.942E-03
DAV: 21 -0.904432412418E+02 -0.38264E-04 -0.76508E-06 412 0.169E-02 0.569E-03
DAV: 22 -0.904432484419E+02 -0.72001E-05 -0.67913E-06 480 0.156E-02
1 F= -.90443248E+02 E0= -.90448707E+02 d E =0.163757E-01