./iterations/neb0_image01_iter49_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 0.366852181091E+03 0.36685E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.347607443235E+01 -0.36338E+03 -0.34995E+03 839 0.195E+02
DAV: 3 -0.956388224690E+02 -0.99115E+02 -0.98772E+02 672 0.116E+02
DAV: 4 -0.100212673620E+03 -0.45739E+01 -0.45642E+01 685 0.287E+01
DAV: 5 -0.100304031052E+03 -0.91357E-01 -0.91304E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916777105529E+02 0.86263E+01 -0.31116E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908608557454E+02 0.81685E+00 -0.18338E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904787324234E+02 0.38212E+00 -0.55863E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903926922509E+02 0.86040E-01 -0.13777E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903869144781E+02 0.57778E-02 -0.45574E-02 736 0.126E+00 0.317E-01
DAV: 11 -0.903907032268E+02 -0.37887E-02 -0.68423E-03 608 0.479E-01 0.145E-01
DAV: 12 -0.903941337213E+02 -0.34305E-02 -0.67293E-03 632 0.473E-01 0.124E-01
DAV: 13 -0.903969586905E+02 -0.28250E-02 -0.12212E-03 808 0.296E-01 0.779E-02
DAV: 14 -0.903999255424E+02 -0.29669E-02 -0.15900E-03 634 0.191E-01 0.606E-02
DAV: 15 -0.904021204610E+02 -0.21949E-02 -0.44518E-04 736 0.140E-01 0.429E-02
DAV: 16 -0.904032842444E+02 -0.11638E-02 -0.60409E-04 669 0.138E-01 0.344E-02
DAV: 17 -0.904042049167E+02 -0.92067E-03 -0.17832E-04 767 0.893E-02 0.211E-02
DAV: 18 -0.904043650681E+02 -0.16015E-03 -0.41200E-05 704 0.321E-02 0.141E-02
DAV: 19 -0.904046385349E+02 -0.27347E-03 -0.55078E-05 630 0.383E-02 0.407E-03
DAV: 20 -0.904046897373E+02 -0.51202E-04 -0.46992E-06 480 0.123E-02 0.424E-03
DAV: 21 -0.904047362619E+02 -0.46525E-04 -0.56877E-06 425 0.126E-02 0.297E-03
DAV: 22 -0.904047560103E+02 -0.19748E-04 -0.34507E-06 477 0.818E-03 0.209E-03
DAV: 23 -0.904047587633E+02 -0.27530E-05 -0.14812E-06 512 0.702E-03
1 F= -.90404759E+02 E0= -.90410000E+02 d E =0.157229E-01