iterations/neb0_image01_iter29_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 0.365988145730E+03 0.36599E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.302513798459E+01 -0.36296E+03 -0.34967E+03 847 0.195E+02
DAV: 3 -0.956131728445E+02 -0.98638E+02 -0.98292E+02 672 0.116E+02
DAV: 4 -0.100155076485E+03 -0.45419E+01 -0.45318E+01 685 0.286E+01
DAV: 5 -0.100245734991E+03 -0.90659E-01 -0.90603E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916334789259E+02 0.86123E+01 -0.31102E+01 709 0.298E+01 0.116E+01
DAV: 7 -0.908222534148E+02 0.81123E+00 -0.18249E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.904408222394E+02 0.38143E+00 -0.56538E-01 704 0.432E+00 0.168E+00
DAV: 9 -0.903548922074E+02 0.85930E-01 -0.13798E-01 712 0.166E+00 0.432E-01
DAV: 10 -0.903490401153E+02 0.58521E-02 -0.44230E-02 720 0.125E+00 0.314E-01
DAV: 11 -0.903527521523E+02 -0.37120E-02 -0.64295E-03 608 0.462E-01 0.152E-01
DAV: 12 -0.903562151981E+02 -0.34630E-02 -0.70326E-03 618 0.495E-01 0.126E-01
DAV: 13 -0.903589960998E+02 -0.27809E-02 -0.12991E-03 808 0.300E-01 0.762E-02
DAV: 14 -0.903619526508E+02 -0.29566E-02 -0.15453E-03 637 0.186E-01 0.580E-02
DAV: 15 -0.903641028904E+02 -0.21502E-02 -0.35977E-04 728 0.123E-01 0.402E-02
DAV: 16 -0.903654193443E+02 -0.13165E-02 -0.60731E-04 661 0.140E-01 0.343E-02
DAV: 17 -0.903662562937E+02 -0.83695E-03 -0.15401E-04 802 0.865E-02 0.192E-02
DAV: 18 -0.903664635756E+02 -0.20728E-03 -0.40220E-05 688 0.319E-02 0.123E-02
DAV: 19 -0.903667074663E+02 -0.24389E-03 -0.55325E-05 630 0.388E-02 0.576E-03
DAV: 20 -0.903667334489E+02 -0.25983E-04 -0.41157E-06 496 0.125E-02 0.571E-03
DAV: 21 -0.903667826161E+02 -0.49167E-04 -0.75584E-06 397 0.157E-02 0.278E-03
DAV: 22 -0.903667952760E+02 -0.12660E-04 -0.42877E-06 480 0.112E-02 0.222E-03
DAV: 23 -0.903667977322E+02 -0.24561E-05 -0.10443E-06 504 0.558E-03
1 F= -.90366798E+02 E0= -.90372348E+02 d E =0.166497E-01