iterations/neb0_image01_iter203_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 0.365870160462E+03 0.36587E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324037525413E+01 -0.36263E+03 -0.34963E+03 839 0.196E+02
DAV: 3 -0.954997019942E+02 -0.98740E+02 -0.98392E+02 653 0.116E+02
DAV: 4 -0.100239467214E+03 -0.47398E+01 -0.47286E+01 704 0.296E+01
DAV: 5 -0.100333709270E+03 -0.94242E-01 -0.94194E-01 728 0.374E+00 0.222E+01
DAV: 6 -0.916944475608E+02 0.86393E+01 -0.30923E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908857027172E+02 0.80874E+00 -0.18323E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905097006643E+02 0.37600E+00 -0.55379E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904275596371E+02 0.82141E-01 -0.13236E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904230707984E+02 0.44888E-02 -0.47226E-02 712 0.124E+00 0.323E-01
DAV: 11 -0.904272451619E+02 -0.41744E-02 -0.81206E-03 608 0.587E-01 0.119E-01
DAV: 12 -0.904305419746E+02 -0.32968E-02 -0.63374E-03 629 0.434E-01 0.131E-01
DAV: 13 -0.904330117316E+02 -0.24698E-02 -0.15972E-03 853 0.308E-01 0.755E-02
DAV: 14 -0.904362422664E+02 -0.32305E-02 -0.15089E-03 642 0.198E-01 0.709E-02
DAV: 15 -0.904377823441E+02 -0.15401E-02 -0.28531E-04 712 0.114E-01 0.554E-02
DAV: 16 -0.904391728217E+02 -0.13905E-02 -0.11464E-03 661 0.208E-01 0.400E-02
DAV: 17 -0.904399803418E+02 -0.80752E-03 -0.14809E-04 661 0.845E-02 0.339E-02
DAV: 18 -0.904402984806E+02 -0.31814E-03 -0.77691E-05 688 0.436E-02 0.198E-02
DAV: 19 -0.904404928170E+02 -0.19434E-03 -0.10986E-04 631 0.601E-02 0.102E-02
DAV: 20 -0.904405190744E+02 -0.26257E-04 -0.11410E-05 504 0.221E-02 0.101E-02
DAV: 21 -0.904405570219E+02 -0.37948E-04 -0.79448E-06 407 0.160E-02 0.731E-03
DAV: 22 -0.904405708681E+02 -0.13846E-04 -0.53721E-06 480 0.181E-02 0.318E-03
DAV: 23 -0.904405752346E+02 -0.43665E-05 -0.65939E-06 466 0.146E-02
1 F= -.90440575E+02 E0= -.90446456E+02 d E =0.176437E-01