iterations/neb0_image09_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 0.374132200337E+03 0.37413E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325394861588E+01 -0.37088E+03 -0.35812E+03 869 0.196E+02
DAV: 3 -0.968106737587E+02 -0.10006E+03 -0.99738E+02 669 0.117E+02
DAV: 4 -0.101265814531E+03 -0.44551E+01 -0.44448E+01 720 0.283E+01
DAV: 5 -0.101352580703E+03 -0.86766E-01 -0.86727E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926786666252E+02 0.86739E+01 -0.30985E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918076649461E+02 0.87100E+00 -0.17234E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914314140278E+02 0.37625E+00 -0.54312E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913499661290E+02 0.81448E-01 -0.13167E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913417173958E+02 0.82487E-02 -0.44612E-02 776 0.111E+00 0.300E-01
DAV: 11 -0.913461329648E+02 -0.44156E-02 -0.12186E-02 616 0.576E-01 0.135E-01
DAV: 12 -0.913492499079E+02 -0.31169E-02 -0.28608E-03 634 0.241E-01 0.112E-01
DAV: 13 -0.913528858206E+02 -0.36359E-02 -0.15246E-03 720 0.213E-01 0.422E-02
DAV: 14 -0.913561292489E+02 -0.32434E-02 -0.56719E-04 664 0.135E-01 0.325E-02
DAV: 15 -0.913575982657E+02 -0.14690E-02 -0.14483E-04 680 0.756E-02 0.327E-02
DAV: 16 -0.913589419850E+02 -0.13437E-02 -0.33654E-04 645 0.940E-02 0.198E-02
DAV: 17 -0.913592135219E+02 -0.27154E-03 -0.54530E-05 688 0.567E-02 0.123E-02
DAV: 18 -0.913594478012E+02 -0.23428E-03 -0.43838E-05 565 0.315E-02 0.105E-02
DAV: 19 -0.913595526463E+02 -0.10485E-03 -0.10464E-05 472 0.175E-02 0.558E-03
DAV: 20 -0.913595868497E+02 -0.34203E-04 -0.11644E-05 448 0.220E-02 0.245E-03
DAV: 21 -0.913596068323E+02 -0.19983E-04 -0.44675E-06 442 0.102E-02 0.312E-03
DAV: 22 -0.913596107042E+02 -0.38719E-05 -0.77132E-07 480 0.455E-03
1 F= -.91359611E+02 E0= -.91364544E+02 d E =0.148009E-01