iterations/neb0_image09_iter170_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 0.374108730000E+03 0.37411E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325673236886E+01 -0.37085E+03 -0.35810E+03 869 0.196E+02
DAV: 3 -0.968035284905E+02 -0.10006E+03 -0.99734E+02 669 0.117E+02
DAV: 4 -0.101258471592E+03 -0.44549E+01 -0.44447E+01 720 0.283E+01
DAV: 5 -0.101345321209E+03 -0.86850E-01 -0.86811E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926768897316E+02 0.86684E+01 -0.30983E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918081438673E+02 0.86875E+00 -0.17219E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914322759403E+02 0.37587E+00 -0.54367E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913508467196E+02 0.81429E-01 -0.13109E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913425693199E+02 0.82774E-02 -0.44209E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913469504856E+02 -0.43812E-02 -0.11829E-02 616 0.567E-01 0.133E-01
DAV: 12 -0.913501142506E+02 -0.31638E-02 -0.28553E-03 626 0.242E-01 0.111E-01
DAV: 13 -0.913537159740E+02 -0.36017E-02 -0.13984E-03 701 0.205E-01 0.423E-02
DAV: 14 -0.913569635023E+02 -0.32475E-02 -0.60875E-04 664 0.137E-01 0.344E-02
DAV: 15 -0.913583872672E+02 -0.14238E-02 -0.14037E-04 712 0.783E-02 0.331E-02
DAV: 16 -0.913597779012E+02 -0.13906E-02 -0.33919E-04 645 0.919E-02 0.190E-02
DAV: 17 -0.913600965312E+02 -0.31863E-03 -0.61798E-05 696 0.591E-02 0.120E-02
DAV: 18 -0.913603320727E+02 -0.23554E-03 -0.38828E-05 568 0.276E-02 0.100E-02
DAV: 19 -0.913604154842E+02 -0.83412E-04 -0.99174E-06 496 0.169E-02 0.477E-03
DAV: 20 -0.913604488164E+02 -0.33332E-04 -0.90754E-06 432 0.199E-02 0.202E-03
DAV: 21 -0.913604661526E+02 -0.17336E-04 -0.35320E-06 445 0.901E-03 0.292E-03
DAV: 22 -0.913604702892E+02 -0.41366E-05 -0.67969E-07 488 0.463E-03
1 F= -.91360470E+02 E0= -.91365403E+02 d E =0.147976E-01