iterations/neb0_image02_iter79_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 0.368096998801E+03 0.36810E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.466946251342E+01 -0.36343E+03 -0.34869E+03 834 0.195E+02
DAV: 3 -0.956902903622E+02 -0.10036E+03 -0.10003E+03 688 0.116E+02
DAV: 4 -0.100173162723E+03 -0.44829E+01 -0.44725E+01 696 0.279E+01
DAV: 5 -0.100260241335E+03 -0.87079E-01 -0.87035E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.916594558678E+02 0.86008E+01 -0.30940E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908328827862E+02 0.82657E+00 -0.18213E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904445061967E+02 0.38838E+00 -0.56403E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.903547121974E+02 0.89794E-01 -0.13909E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903482886793E+02 0.64235E-02 -0.47744E-02 709 0.128E+00 0.324E-01
DAV: 11 -0.903518994313E+02 -0.36108E-02 -0.72165E-03 608 0.485E-01 0.150E-01
DAV: 12 -0.903552874968E+02 -0.33881E-02 -0.72817E-03 618 0.475E-01 0.131E-01
DAV: 13 -0.903581121247E+02 -0.28246E-02 -0.14389E-03 968 0.323E-01 0.810E-02
DAV: 14 -0.903611514941E+02 -0.30394E-02 -0.13656E-03 637 0.175E-01 0.551E-02
DAV: 15 -0.903635809717E+02 -0.24295E-02 -0.41003E-04 669 0.113E-01 0.422E-02
DAV: 16 -0.903649682066E+02 -0.13872E-02 -0.57389E-04 656 0.133E-01 0.303E-02
DAV: 17 -0.903658585177E+02 -0.89031E-03 -0.16422E-04 794 0.852E-02 0.180E-02
DAV: 18 -0.903660142009E+02 -0.15568E-03 -0.39348E-05 704 0.325E-02 0.971E-03
DAV: 19 -0.903662026506E+02 -0.18845E-03 -0.30760E-05 524 0.271E-02 0.357E-03
DAV: 20 -0.903662406094E+02 -0.37959E-04 -0.34389E-06 488 0.934E-03 0.419E-03
DAV: 21 -0.903662855936E+02 -0.44984E-04 -0.59284E-06 406 0.134E-02 0.265E-03
DAV: 22 -0.903662962788E+02 -0.10685E-04 -0.31892E-06 477 0.854E-03 0.211E-03
DAV: 23 -0.903662982796E+02 -0.20008E-05 -0.98360E-07 512 0.652E-03
1 F= -.90366298E+02 E0= -.90372112E+02 d E =0.174408E-01