./iterations/neb0_image01_iter247_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 0.365324477721E+03 0.36532E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.324533945348E+01 -0.36208E+03 -0.34892E+03 839 0.196E+02
DAV: 3 -0.954661063068E+02 -0.98711E+02 -0.98366E+02 645 0.116E+02
DAV: 4 -0.100216450387E+03 -0.47503E+01 -0.47380E+01 696 0.297E+01
DAV: 5 -0.100310446153E+03 -0.93996E-01 -0.93949E-01 736 0.377E+00 0.222E+01
DAV: 6 -0.916925963273E+02 0.86178E+01 -0.31032E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908922380477E+02 0.80036E+00 -0.18298E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905157932525E+02 0.37644E+00 -0.55175E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904319843656E+02 0.83809E-01 -0.13430E-01 720 0.164E+00 0.423E-01
DAV: 10 -0.904272865391E+02 0.46978E-02 -0.46454E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904311878372E+02 -0.39013E-02 -0.68604E-03 608 0.517E-01 0.130E-01
DAV: 12 -0.904348073650E+02 -0.36195E-02 -0.71826E-03 629 0.487E-01 0.135E-01
DAV: 13 -0.904372374934E+02 -0.24301E-02 -0.17613E-03 869 0.323E-01 0.745E-02
DAV: 14 -0.904403015122E+02 -0.30640E-02 -0.13643E-03 642 0.179E-01 0.636E-02
DAV: 15 -0.904421337567E+02 -0.18322E-02 -0.34490E-04 680 0.110E-01 0.516E-02
DAV: 16 -0.904435637459E+02 -0.14300E-02 -0.95144E-04 666 0.187E-01 0.358E-02
DAV: 17 -0.904443155039E+02 -0.75176E-03 -0.12678E-04 672 0.757E-02 0.312E-02
DAV: 18 -0.904446163397E+02 -0.30084E-03 -0.11518E-04 664 0.570E-02 0.116E-02
DAV: 19 -0.904447646695E+02 -0.14833E-03 -0.44647E-05 653 0.341E-02 0.831E-03
DAV: 20 -0.904447979587E+02 -0.33289E-04 -0.34699E-06 504 0.147E-02 0.917E-03
DAV: 21 -0.904448361383E+02 -0.38180E-04 -0.82458E-06 420 0.198E-02 0.492E-03
DAV: 22 -0.904448420381E+02 -0.58998E-05 -0.74539E-06 496 0.150E-02
1 F= -.90444842E+02 E0= -.90450364E+02 d E =0.165658E-01