./iterations/neb0_image01_iter169_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 0.365723059339E+03 0.36572E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.319918793236E+01 -0.36252E+03 -0.34963E+03 839 0.196E+02
DAV: 3 -0.955881779164E+02 -0.98787E+02 -0.98438E+02 669 0.116E+02
DAV: 4 -0.100221832679E+03 -0.46337E+01 -0.46226E+01 680 0.287E+01
DAV: 5 -0.100315237333E+03 -0.93405E-01 -0.93353E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916852015764E+02 0.86300E+01 -0.31026E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908814751906E+02 0.80373E+00 -0.18282E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905060610892E+02 0.37541E+00 -0.55430E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904241116295E+02 0.81949E-01 -0.13269E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904194768960E+02 0.46347E-02 -0.46979E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904235365638E+02 -0.40597E-02 -0.77849E-03 608 0.562E-01 0.121E-01
DAV: 12 -0.904269182786E+02 -0.33817E-02 -0.64988E-03 637 0.449E-01 0.131E-01
DAV: 13 -0.904293391922E+02 -0.24209E-02 -0.16406E-03 861 0.310E-01 0.749E-02
DAV: 14 -0.904325105054E+02 -0.31713E-02 -0.14568E-03 631 0.192E-01 0.680E-02
DAV: 15 -0.904341162830E+02 -0.16058E-02 -0.30346E-04 688 0.113E-01 0.542E-02
DAV: 16 -0.904355026218E+02 -0.13863E-02 -0.11051E-03 661 0.205E-01 0.396E-02
DAV: 17 -0.904363023836E+02 -0.79976E-03 -0.14520E-04 661 0.823E-02 0.340E-02
DAV: 18 -0.904366097329E+02 -0.30735E-03 -0.80228E-05 672 0.449E-02 0.192E-02
DAV: 19 -0.904367978905E+02 -0.18816E-03 -0.96041E-05 636 0.553E-02 0.888E-03
DAV: 20 -0.904368285718E+02 -0.30681E-04 -0.99846E-06 520 0.212E-02 0.984E-03
DAV: 21 -0.904368661007E+02 -0.37529E-04 -0.73589E-06 407 0.154E-02 0.749E-03
DAV: 22 -0.904368795166E+02 -0.13416E-04 -0.53087E-06 480 0.189E-02 0.317E-03
DAV: 23 -0.904368826909E+02 -0.31743E-05 -0.74852E-06 496 0.154E-02
1 F= -.90436883E+02 E0= -.90442133E+02 d E =0.157519E-01