./iterations/neb0_image03_iter209_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 0.363337501660E+03 0.36334E+03 -0.14322E+04 632 0.799E+02
DAV: 2 -0.182969077018E+00 -0.36352E+03 -0.35378E+03 855 0.195E+02
DAV: 3 -0.959841333586E+02 -0.95801E+02 -0.95488E+02 661 0.115E+02
DAV: 4 -0.100245480346E+03 -0.42613E+01 -0.42498E+01 712 0.277E+01
DAV: 5 -0.100329809478E+03 -0.84329E-01 -0.84296E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917156151982E+02 0.86142E+01 -0.31040E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908795881543E+02 0.83603E+00 -0.18064E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904850157413E+02 0.39457E+00 -0.56623E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903900348102E+02 0.94981E-01 -0.13319E-01 712 0.170E+00 0.437E-01
DAV: 10 -0.903823983647E+02 0.76364E-02 -0.53432E-02 720 0.129E+00 0.348E-01
DAV: 11 -0.903865759538E+02 -0.41776E-02 -0.95766E-03 648 0.638E-01 0.123E-01
DAV: 12 -0.903899738182E+02 -0.33979E-02 -0.62351E-03 624 0.361E-01 0.136E-01
DAV: 13 -0.903933856313E+02 -0.34118E-02 -0.18831E-03 917 0.354E-01 0.860E-02
DAV: 14 -0.903967873497E+02 -0.34017E-02 -0.14302E-03 642 0.194E-01 0.674E-02
DAV: 15 -0.903988582783E+02 -0.20709E-02 -0.26731E-04 672 0.849E-02 0.423E-02
DAV: 16 -0.904006241807E+02 -0.17659E-02 -0.75147E-04 653 0.160E-01 0.346E-02
DAV: 17 -0.904012093016E+02 -0.58512E-03 -0.97755E-05 728 0.703E-02 0.234E-02
DAV: 18 -0.904016748253E+02 -0.46552E-03 -0.20051E-04 642 0.815E-02 0.133E-02
DAV: 19 -0.904018361474E+02 -0.16132E-03 -0.20946E-05 512 0.345E-02 0.759E-03
DAV: 20 -0.904019242041E+02 -0.88057E-04 -0.30112E-05 581 0.279E-02 0.368E-03
DAV: 21 -0.904019602267E+02 -0.36023E-04 -0.32459E-06 464 0.135E-02 0.167E-03
DAV: 22 -0.904019806882E+02 -0.20462E-04 -0.50340E-06 461 0.115E-02 0.254E-03
DAV: 23 -0.904019833691E+02 -0.26808E-05 -0.68402E-07 528 0.616E-03
1 F= -.90401983E+02 E0= -.90408384E+02 d E =0.192033E-01