iterations/neb0_image02_iter253_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 0.366284514237E+03 0.36628E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.743189324344E+00 -0.36554E+03 -0.35492E+03 869 0.196E+02
DAV: 3 -0.955950200097E+02 -0.96338E+02 -0.96010E+02 621 0.116E+02
DAV: 4 -0.100254353829E+03 -0.46593E+01 -0.46494E+01 712 0.299E+01
DAV: 5 -0.100347831338E+03 -0.93478E-01 -0.93448E-01 752 0.379E+00 0.222E+01
DAV: 6 -0.916751368271E+02 0.86727E+01 -0.31003E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908533473152E+02 0.82179E+00 -0.18121E+00 720 0.634E+00 0.485E+00
DAV: 8 -0.904731844763E+02 0.38016E+00 -0.55319E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903885264270E+02 0.84658E-01 -0.13461E-01 720 0.166E+00 0.426E-01
DAV: 10 -0.903841329972E+02 0.43934E-02 -0.48656E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.903879857154E+02 -0.38527E-02 -0.79080E-03 624 0.609E-01 0.115E-01
DAV: 12 -0.903910021667E+02 -0.30165E-02 -0.64511E-03 632 0.406E-01 0.136E-01
DAV: 13 -0.903935787373E+02 -0.25766E-02 -0.19325E-03 877 0.333E-01 0.812E-02
DAV: 14 -0.903966532338E+02 -0.30745E-02 -0.13015E-03 612 0.169E-01 0.708E-02
DAV: 15 -0.903984460800E+02 -0.17928E-02 -0.30190E-04 688 0.101E-01 0.534E-02
DAV: 16 -0.903998439766E+02 -0.13979E-02 -0.99470E-04 672 0.185E-01 0.379E-02
DAV: 17 -0.904004400799E+02 -0.59610E-03 -0.12564E-04 680 0.804E-02 0.267E-02
DAV: 18 -0.904007277649E+02 -0.28768E-03 -0.99180E-05 672 0.495E-02 0.796E-03
DAV: 19 -0.904009197734E+02 -0.19201E-03 -0.29991E-05 572 0.264E-02 0.535E-03
DAV: 20 -0.904009512413E+02 -0.31468E-04 -0.27536E-06 504 0.115E-02 0.483E-03
DAV: 21 -0.904010020768E+02 -0.50835E-04 -0.11157E-05 409 0.175E-02 0.392E-03
DAV: 22 -0.904010076671E+02 -0.55904E-05 -0.29047E-06 496 0.107E-02
1 F= -.90401008E+02 E0= -.90407812E+02 d E =0.204141E-01