./iterations/neb0_image01_iter237_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 0.365201102849E+03 0.36520E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.322818692476E+01 -0.36197E+03 -0.34888E+03 839 0.196E+02
DAV: 3 -0.954995298192E+02 -0.98728E+02 -0.98383E+02 653 0.116E+02
DAV: 4 -0.100207633942E+03 -0.47081E+01 -0.46957E+01 704 0.293E+01
DAV: 5 -0.100300987421E+03 -0.93353E-01 -0.93307E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.916887400952E+02 0.86122E+01 -0.31046E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908905949394E+02 0.79815E+00 -0.18235E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905145315275E+02 0.37606E+00 -0.55179E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904311118469E+02 0.83420E-01 -0.13373E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904264542780E+02 0.46576E-02 -0.46569E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904304096217E+02 -0.39553E-02 -0.70858E-03 608 0.527E-01 0.128E-01
DAV: 12 -0.904339975596E+02 -0.35879E-02 -0.70483E-03 629 0.480E-01 0.135E-01
DAV: 13 -0.904363780270E+02 -0.23805E-02 -0.17354E-03 869 0.320E-01 0.746E-02
DAV: 14 -0.904394753652E+02 -0.30973E-02 -0.13912E-03 642 0.184E-01 0.647E-02
DAV: 15 -0.904412540486E+02 -0.17787E-02 -0.33382E-04 680 0.109E-01 0.528E-02
DAV: 16 -0.904426631512E+02 -0.14091E-02 -0.96964E-04 669 0.191E-01 0.355E-02
DAV: 17 -0.904434364781E+02 -0.77333E-03 -0.12892E-04 672 0.751E-02 0.321E-02
DAV: 18 -0.904437514897E+02 -0.31501E-03 -0.10724E-04 664 0.550E-02 0.132E-02
DAV: 19 -0.904439016443E+02 -0.15015E-03 -0.54390E-05 661 0.385E-02 0.860E-03
DAV: 20 -0.904439369770E+02 -0.35333E-04 -0.38444E-06 480 0.149E-02 0.944E-03
DAV: 21 -0.904439749499E+02 -0.37973E-04 -0.81411E-06 420 0.187E-02 0.538E-03
DAV: 22 -0.904439812901E+02 -0.63402E-05 -0.71981E-06 488 0.152E-02
1 F= -.90443981E+02 E0= -.90449433E+02 d E =0.163565E-01