./iterations/neb0_image04_iter270_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 0.367022471534E+03 0.36702E+03 -0.14310E+04 624 0.799E+02
DAV: 2 0.535668517210E+00 -0.36649E+03 -0.35543E+03 858 0.195E+02
DAV: 3 -0.960895144597E+02 -0.96625E+02 -0.96332E+02 656 0.116E+02
DAV: 4 -0.100400860232E+03 -0.43113E+01 -0.43030E+01 704 0.280E+01
DAV: 5 -0.100485527680E+03 -0.84667E-01 -0.84640E-01 736 0.349E+00 0.225E+01
DAV: 6 -0.917060878457E+02 0.87794E+01 -0.31385E+01 682 0.300E+01 0.118E+01
DAV: 7 -0.908407994015E+02 0.86529E+00 -0.18297E+00 720 0.660E+00 0.486E+00
DAV: 8 -0.904267431910E+02 0.41406E+00 -0.54630E-01 704 0.453E+00 0.178E+00
DAV: 9 -0.903335776797E+02 0.93166E-01 -0.17291E-01 712 0.198E+00 0.536E-01
DAV: 10 -0.903222579349E+02 0.11320E-01 -0.37974E-02 720 0.110E+00 0.340E-01
DAV: 11 -0.903241574601E+02 -0.18995E-02 -0.71407E-03 712 0.478E-01 0.181E-01
DAV: 12 -0.903273436663E+02 -0.31862E-02 -0.32162E-03 621 0.358E-01 0.121E-01
DAV: 13 -0.903306896470E+02 -0.33460E-02 -0.14324E-03 642 0.289E-01 0.108E-01
DAV: 14 -0.903341739900E+02 -0.34843E-02 -0.17256E-03 708 0.282E-01 0.479E-02
DAV: 15 -0.903359824453E+02 -0.18085E-02 -0.37838E-04 688 0.107E-01 0.386E-02
DAV: 16 -0.903388006142E+02 -0.28182E-02 -0.87674E-04 702 0.187E-01 0.402E-02
DAV: 17 -0.903392230062E+02 -0.42239E-03 -0.13956E-04 800 0.907E-02 0.239E-02
DAV: 18 -0.903398220195E+02 -0.59901E-03 -0.20099E-04 691 0.828E-02 0.140E-02
DAV: 19 -0.903402760463E+02 -0.45403E-03 -0.58052E-05 617 0.452E-02 0.719E-03
DAV: 20 -0.903404063258E+02 -0.13028E-03 -0.15404E-05 496 0.193E-02 0.417E-03
DAV: 21 -0.903405093324E+02 -0.10301E-03 -0.19542E-05 475 0.203E-02 0.307E-03
DAV: 22 -0.903405202492E+02 -0.10917E-04 -0.14636E-06 536 0.782E-03 0.259E-03
DAV: 23 -0.903405284601E+02 -0.82110E-05 -0.25552E-06 407 0.107E-02
1 F= -.90340528E+02 E0= -.90348890E+02 d E =0.250855E-01