./iterations/neb0_image03_iter30_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 0.367945705387E+03 0.36795E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.397307264365E+01 -0.36397E+03 -0.35078E+03 845 0.195E+02
DAV: 3 -0.953740013873E+02 -0.99347E+02 -0.99014E+02 672 0.116E+02
DAV: 4 -0.999283315791E+02 -0.45543E+01 -0.45424E+01 720 0.286E+01
DAV: 5 -0.100015395199E+03 -0.87064E-01 -0.87018E-01 736 0.357E+00 0.223E+01
DAV: 6 -0.913570839386E+02 0.86583E+01 -0.30637E+01 693 0.297E+01 0.117E+01
DAV: 7 -0.904968985859E+02 0.86019E+00 -0.18168E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.900889752599E+02 0.40792E+00 -0.59031E-01 696 0.439E+00 0.165E+00
DAV: 9 -0.899954334304E+02 0.93542E-01 -0.14167E-01 712 0.171E+00 0.440E-01
DAV: 10 -0.899871797689E+02 0.82537E-02 -0.48946E-02 712 0.120E+00 0.334E-01
DAV: 11 -0.899914395862E+02 -0.42598E-02 -0.92461E-03 605 0.562E-01 0.119E-01
DAV: 12 -0.899943434825E+02 -0.29039E-02 -0.49636E-03 629 0.323E-01 0.133E-01
DAV: 13 -0.899974091023E+02 -0.30656E-02 -0.20586E-03 848 0.351E-01 0.731E-02
DAV: 14 -0.900009641441E+02 -0.35550E-02 -0.11694E-03 631 0.157E-01 0.608E-02
DAV: 15 -0.900033254309E+02 -0.23613E-02 -0.33563E-04 789 0.106E-01 0.359E-02
DAV: 16 -0.900048851918E+02 -0.15598E-02 -0.59134E-04 664 0.131E-01 0.357E-02
DAV: 17 -0.900055730648E+02 -0.68787E-03 -0.13060E-04 853 0.743E-02 0.166E-02
DAV: 18 -0.900058843859E+02 -0.31132E-03 -0.72174E-05 661 0.409E-02 0.710E-03
DAV: 19 -0.900059640284E+02 -0.79643E-04 -0.72158E-06 488 0.173E-02 0.615E-03
DAV: 20 -0.900060441804E+02 -0.80152E-04 -0.14475E-05 442 0.216E-02 0.501E-03
DAV: 21 -0.900060554307E+02 -0.11250E-04 -0.40445E-06 496 0.111E-02 0.360E-03
DAV: 22 -0.900060654407E+02 -0.10010E-04 -0.27060E-06 415 0.114E-02 0.142E-03
DAV: 23 -0.900060705216E+02 -0.50809E-05 -0.12548E-06 469 0.576E-03
1 F= -.90006071E+02 E0= -.90013381E+02 d E =0.219318E-01