./iterations/neb0_image02_iter124_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 0.364778146916E+03 0.36478E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.398422996295E+01 -0.36079E+03 -0.34625E+03 834 0.194E+02
DAV: 3 -0.956232705467E+02 -0.99608E+02 -0.99275E+02 680 0.116E+02
DAV: 4 -0.100202771800E+03 -0.45795E+01 -0.45685E+01 712 0.282E+01
DAV: 5 -0.100291438423E+03 -0.88667E-01 -0.88628E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.916746542628E+02 0.86168E+01 -0.30918E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908537221744E+02 0.82093E+00 -0.18412E+00 704 0.635E+00 0.483E+00
DAV: 8 -0.904693211541E+02 0.38440E+00 -0.55815E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903801863446E+02 0.89135E-01 -0.13940E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903740457485E+02 0.61406E-02 -0.47728E-02 704 0.130E+00 0.323E-01
DAV: 11 -0.903775869195E+02 -0.35412E-02 -0.70819E-03 608 0.490E-01 0.153E-01
DAV: 12 -0.903809666071E+02 -0.33797E-02 -0.77431E-03 624 0.493E-01 0.134E-01
DAV: 13 -0.903837476635E+02 -0.27811E-02 -0.16329E-03 968 0.339E-01 0.808E-02
DAV: 14 -0.903867662905E+02 -0.30186E-02 -0.13347E-03 640 0.171E-01 0.578E-02
DAV: 15 -0.903890604420E+02 -0.22942E-02 -0.39489E-04 669 0.109E-01 0.432E-02
DAV: 16 -0.903905088528E+02 -0.14484E-02 -0.62267E-04 664 0.142E-01 0.309E-02
DAV: 17 -0.903913673616E+02 -0.85851E-03 -0.14177E-04 661 0.804E-02 0.211E-02
DAV: 18 -0.903915478498E+02 -0.18049E-03 -0.58031E-05 696 0.383E-02 0.972E-03
DAV: 19 -0.903917153847E+02 -0.16753E-03 -0.24098E-05 466 0.260E-02 0.267E-03
DAV: 20 -0.903917723805E+02 -0.56996E-04 -0.67869E-06 472 0.123E-02 0.424E-03
DAV: 21 -0.903918033504E+02 -0.30970E-04 -0.47042E-06 450 0.135E-02 0.466E-03
DAV: 22 -0.903918238297E+02 -0.20479E-04 -0.49445E-06 458 0.121E-02 0.322E-03
DAV: 23 -0.903918257641E+02 -0.19344E-05 -0.29451E-06 528 0.107E-02
1 F= -.90391826E+02 E0= -.90397719E+02 d E =0.176791E-01