iterations/neb0_image01_iter183_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 0.365373226400E+03 0.36537E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.315125320113E+01 -0.36222E+03 -0.34928E+03 842 0.196E+02
DAV: 3 -0.955780805723E+02 -0.98729E+02 -0.98380E+02 669 0.116E+02
DAV: 4 -0.100206552748E+03 -0.46285E+01 -0.46175E+01 688 0.287E+01
DAV: 5 -0.100299691779E+03 -0.93139E-01 -0.93090E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916782831797E+02 0.86214E+01 -0.31050E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908820365891E+02 0.79625E+00 -0.18313E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905078189087E+02 0.37422E+00 -0.54988E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904253209163E+02 0.82498E-01 -0.13291E-01 712 0.167E+00 0.423E-01
DAV: 10 -0.904206868968E+02 0.46340E-02 -0.46900E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904248218443E+02 -0.41349E-02 -0.80273E-03 608 0.576E-01 0.119E-01
DAV: 12 -0.904281122939E+02 -0.32904E-02 -0.63106E-03 637 0.439E-01 0.130E-01
DAV: 13 -0.904305545343E+02 -0.24422E-02 -0.16033E-03 861 0.307E-01 0.747E-02
DAV: 14 -0.904337848225E+02 -0.32303E-02 -0.14729E-03 631 0.194E-01 0.688E-02
DAV: 15 -0.904353163013E+02 -0.15315E-02 -0.28916E-04 704 0.113E-01 0.544E-02
DAV: 16 -0.904367098549E+02 -0.13936E-02 -0.11539E-03 661 0.210E-01 0.411E-02
DAV: 17 -0.904375010656E+02 -0.79121E-03 -0.15154E-04 664 0.849E-02 0.351E-02
DAV: 18 -0.904377880116E+02 -0.28695E-03 -0.70483E-05 688 0.420E-02 0.213E-02
DAV: 19 -0.904380017037E+02 -0.21369E-03 -0.10854E-04 628 0.604E-02 0.862E-03
DAV: 20 -0.904380319863E+02 -0.30283E-04 -0.14011E-05 512 0.247E-02 0.102E-02
DAV: 21 -0.904380671224E+02 -0.35136E-04 -0.83823E-06 407 0.176E-02 0.845E-03
DAV: 22 -0.904380856552E+02 -0.18533E-04 -0.52880E-06 471 0.203E-02 0.447E-03
DAV: 23 -0.904380895313E+02 -0.38761E-05 -0.13147E-05 504 0.200E-02
1 F= -.90438090E+02 E0= -.90443443E+02 d E =0.160604E-01