./iterations/neb0_image01_iter113_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 0.366387950156E+03 0.36639E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.337775989574E+01 -0.36301E+03 -0.34972E+03 839 0.195E+02
DAV: 3 -0.956920403325E+02 -0.99070E+02 -0.98725E+02 677 0.116E+02
DAV: 4 -0.100202330958E+03 -0.45103E+01 -0.45006E+01 693 0.282E+01
DAV: 5 -0.100292477845E+03 -0.90147E-01 -0.90095E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916795429731E+02 0.86129E+01 -0.31116E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908714812183E+02 0.80806E+00 -0.18205E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904924244671E+02 0.37906E+00 -0.55578E-01 712 0.428E+00 0.168E+00
DAV: 9 -0.904081355451E+02 0.84289E-01 -0.13520E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904029434357E+02 0.51921E-02 -0.45722E-02 728 0.124E+00 0.316E-01
DAV: 11 -0.904068686087E+02 -0.39252E-02 -0.67953E-03 608 0.489E-01 0.136E-01
DAV: 12 -0.904104199184E+02 -0.35513E-02 -0.67898E-03 629 0.474E-01 0.128E-01
DAV: 13 -0.904130396502E+02 -0.26197E-02 -0.14343E-03 848 0.308E-01 0.751E-02
DAV: 14 -0.904160447448E+02 -0.30051E-02 -0.14142E-03 634 0.179E-01 0.596E-02
DAV: 15 -0.904180132888E+02 -0.19685E-02 -0.36246E-04 696 0.118E-01 0.461E-02
DAV: 16 -0.904193889371E+02 -0.13756E-02 -0.83332E-04 653 0.169E-01 0.375E-02
DAV: 17 -0.904201900344E+02 -0.80110E-03 -0.18138E-04 829 0.965E-02 0.226E-02
DAV: 18 -0.904203298977E+02 -0.13986E-03 -0.43492E-05 704 0.334E-02 0.146E-02
DAV: 19 -0.904205827832E+02 -0.25289E-03 -0.64476E-05 633 0.413E-02 0.603E-03
DAV: 20 -0.904206064418E+02 -0.23659E-04 -0.59592E-06 480 0.163E-02 0.601E-03
DAV: 21 -0.904206410309E+02 -0.34589E-04 -0.73970E-06 436 0.170E-02 0.526E-03
DAV: 22 -0.904206633904E+02 -0.22360E-04 -0.37295E-06 466 0.108E-02 0.381E-03
DAV: 23 -0.904206661748E+02 -0.27844E-05 -0.36388E-06 528 0.110E-02
1 F= -.90420666E+02 E0= -.90425677E+02 d E =0.150337E-01