./iterations/neb0_image01_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 0.366542527182E+03 0.36654E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.342240339493E+01 -0.36312E+03 -0.34972E+03 839 0.195E+02
DAV: 3 -0.957709246961E+02 -0.99193E+02 -0.98853E+02 688 0.116E+02
DAV: 4 -0.100188831123E+03 -0.44179E+01 -0.44087E+01 693 0.278E+01
DAV: 5 -0.100276210530E+03 -0.87379E-01 -0.87329E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916770123336E+02 0.85992E+01 -0.31141E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908646074726E+02 0.81240E+00 -0.18122E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904834670121E+02 0.38114E+00 -0.55833E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.903987449154E+02 0.84722E-01 -0.13695E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903931526821E+02 0.55922E-02 -0.45403E-02 728 0.126E+00 0.315E-01
DAV: 11 -0.903968683639E+02 -0.37157E-02 -0.65659E-03 616 0.465E-01 0.151E-01
DAV: 12 -0.904003727084E+02 -0.35043E-02 -0.70275E-03 616 0.493E-01 0.125E-01
DAV: 13 -0.904032472460E+02 -0.28745E-02 -0.12077E-03 784 0.293E-01 0.789E-02
DAV: 14 -0.904061150868E+02 -0.28678E-02 -0.16594E-03 642 0.196E-01 0.600E-02
DAV: 15 -0.904083411129E+02 -0.22260E-02 -0.44186E-04 744 0.140E-01 0.424E-02
DAV: 16 -0.904094881664E+02 -0.11471E-02 -0.56682E-04 661 0.134E-01 0.339E-02
DAV: 17 -0.904104105830E+02 -0.92242E-03 -0.18385E-04 799 0.913E-02 0.195E-02
DAV: 18 -0.904105999750E+02 -0.18939E-03 -0.44288E-05 704 0.328E-02 0.143E-02
DAV: 19 -0.904108397967E+02 -0.23982E-03 -0.54684E-05 633 0.386E-02 0.506E-03
DAV: 20 -0.904108819604E+02 -0.42164E-04 -0.40697E-06 480 0.124E-02 0.476E-03
DAV: 21 -0.904109267604E+02 -0.44800E-04 -0.66831E-06 408 0.140E-02 0.173E-03
DAV: 22 -0.904109404000E+02 -0.13640E-04 -0.31110E-06 477 0.791E-03 0.153E-03
DAV: 23 -0.904109430155E+02 -0.26155E-05 -0.57263E-07 504 0.338E-03
1 F= -.90410943E+02 E0= -.90416052E+02 d E =0.153279E-01