iterations/neb0_image01_iter222_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 0.365400785627E+03 0.36540E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.321476526083E+01 -0.36219E+03 -0.34911E+03 839 0.196E+02
DAV: 3 -0.954198662821E+02 -0.98635E+02 -0.98291E+02 645 0.116E+02
DAV: 4 -0.100216919337E+03 -0.47971E+01 -0.47854E+01 704 0.297E+01
DAV: 5 -0.100312784215E+03 -0.95865E-01 -0.95814E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916928149923E+02 0.86200E+01 -0.30919E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908890715672E+02 0.80374E+00 -0.18293E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905131527558E+02 0.37592E+00 -0.55291E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904304810931E+02 0.82672E-01 -0.13277E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904259214049E+02 0.45597E-02 -0.47034E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904299485218E+02 -0.40271E-02 -0.74516E-03 608 0.549E-01 0.123E-01
DAV: 12 -0.904334683688E+02 -0.35198E-02 -0.68449E-03 634 0.464E-01 0.135E-01
DAV: 13 -0.904358442178E+02 -0.23758E-02 -0.17271E-03 861 0.318E-01 0.748E-02
DAV: 14 -0.904389746403E+02 -0.31304E-02 -0.14357E-03 642 0.188E-01 0.676E-02
DAV: 15 -0.904406826968E+02 -0.17081E-02 -0.31701E-04 680 0.110E-01 0.548E-02
DAV: 16 -0.904420698920E+02 -0.13872E-02 -0.10407E-03 669 0.198E-01 0.367E-02
DAV: 17 -0.904428636329E+02 -0.79374E-03 -0.13515E-04 661 0.780E-02 0.328E-02
DAV: 18 -0.904431928825E+02 -0.32925E-03 -0.10278E-04 672 0.524E-02 0.152E-02
DAV: 19 -0.904433451272E+02 -0.15224E-03 -0.69007E-05 645 0.442E-02 0.917E-03
DAV: 20 -0.904433778409E+02 -0.32714E-04 -0.45637E-06 512 0.152E-02 0.937E-03
DAV: 21 -0.904434170876E+02 -0.39247E-04 -0.80845E-06 409 0.164E-02 0.565E-03
DAV: 22 -0.904434232784E+02 -0.61908E-05 -0.59283E-06 480 0.150E-02
1 F= -.90443423E+02 E0= -.90449089E+02 d E =0.169961E-01