./iterations/neb0_image02_iter76_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 0.368032253068E+03 0.36803E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.465227783766E+01 -0.36338E+03 -0.34868E+03 834 0.195E+02
DAV: 3 -0.956868178362E+02 -0.10034E+03 -0.10001E+03 688 0.116E+02
DAV: 4 -0.100167192843E+03 -0.44804E+01 -0.44702E+01 696 0.279E+01
DAV: 5 -0.100254167999E+03 -0.86975E-01 -0.86933E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916566183848E+02 0.85975E+01 -0.30937E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908303052140E+02 0.82631E+00 -0.18169E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904419859363E+02 0.38832E+00 -0.56355E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.903521621144E+02 0.89824E-01 -0.13932E-01 704 0.165E+00 0.434E-01
DAV: 10 -0.903456827527E+02 0.64794E-02 -0.46745E-02 720 0.127E+00 0.322E-01
DAV: 11 -0.903493129504E+02 -0.36302E-02 -0.71041E-03 608 0.478E-01 0.151E-01
DAV: 12 -0.903526759122E+02 -0.33630E-02 -0.70855E-03 618 0.472E-01 0.129E-01
DAV: 13 -0.903555549000E+02 -0.28790E-02 -0.13655E-03 968 0.316E-01 0.805E-02
DAV: 14 -0.903585871535E+02 -0.30323E-02 -0.13420E-03 637 0.172E-01 0.539E-02
DAV: 15 -0.903610454783E+02 -0.24583E-02 -0.41065E-04 677 0.114E-01 0.406E-02
DAV: 16 -0.903624223143E+02 -0.13768E-02 -0.53137E-04 656 0.126E-01 0.297E-02
DAV: 17 -0.903633011541E+02 -0.87884E-03 -0.17287E-04 826 0.879E-02 0.164E-02
DAV: 18 -0.903634468496E+02 -0.14570E-03 -0.33182E-05 656 0.304E-02 0.100E-02
DAV: 19 -0.903636399884E+02 -0.19314E-03 -0.35097E-05 553 0.282E-02 0.388E-03
DAV: 20 -0.903636706573E+02 -0.30669E-04 -0.22849E-06 480 0.866E-03 0.397E-03
DAV: 21 -0.903637173416E+02 -0.46684E-04 -0.59839E-06 403 0.130E-02 0.246E-03
DAV: 22 -0.903637275470E+02 -0.10205E-04 -0.27916E-06 477 0.777E-03 0.203E-03
DAV: 23 -0.903637298414E+02 -0.22944E-05 -0.87110E-07 488 0.609E-03
1 F= -.90363730E+02 E0= -.90369551E+02 d E =0.174641E-01