iterations/neb0_image07_iter60_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 0.374668327304E+03 0.37467E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.392285536149E+01 -0.37075E+03 -0.35782E+03 861 0.195E+02
DAV: 3 -0.963243236718E+02 -0.10025E+03 -0.99915E+02 672 0.117E+02
DAV: 4 -0.100772871656E+03 -0.44485E+01 -0.44385E+01 704 0.283E+01
DAV: 5 -0.100860953025E+03 -0.88081E-01 -0.88043E-01 720 0.357E+00 0.227E+01
DAV: 6 -0.922793906155E+02 0.85816E+01 -0.30637E+01 706 0.302E+01 0.119E+01
DAV: 7 -0.914154201239E+02 0.86397E+00 -0.16540E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.910337595457E+02 0.38166E+00 -0.55626E-01 696 0.408E+00 0.163E+00
DAV: 9 -0.909490043389E+02 0.84755E-01 -0.13243E-01 712 0.157E+00 0.426E-01
DAV: 10 -0.909391450388E+02 0.98593E-02 -0.48914E-02 728 0.114E+00 0.314E-01
DAV: 11 -0.909434360334E+02 -0.42910E-02 -0.12274E-02 610 0.587E-01 0.137E-01
DAV: 12 -0.909465275181E+02 -0.30915E-02 -0.37309E-03 611 0.295E-01 0.139E-01
DAV: 13 -0.909500916759E+02 -0.35642E-02 -0.18534E-03 762 0.276E-01 0.555E-02
DAV: 14 -0.909527589588E+02 -0.26673E-02 -0.70583E-04 672 0.122E-01 0.503E-02
DAV: 15 -0.909556019935E+02 -0.28430E-02 -0.31355E-04 634 0.824E-02 0.385E-02
DAV: 16 -0.909567189984E+02 -0.11170E-02 -0.37124E-04 677 0.987E-02 0.223E-02
DAV: 17 -0.909573633062E+02 -0.64431E-03 -0.87072E-05 645 0.547E-02 0.141E-02
DAV: 18 -0.909575506469E+02 -0.18734E-03 -0.37273E-05 688 0.286E-02 0.952E-03
DAV: 19 -0.909576254551E+02 -0.74808E-04 -0.17687E-05 466 0.313E-02 0.386E-03
DAV: 20 -0.909576495315E+02 -0.24076E-04 -0.80975E-06 512 0.154E-02 0.563E-03
DAV: 21 -0.909576671476E+02 -0.17616E-04 -0.31315E-06 415 0.124E-02 0.304E-03
DAV: 22 -0.909576763469E+02 -0.91993E-05 -0.32200E-06 466 0.107E-02
1 F= -.90957676E+02 E0= -.90962643E+02 d E =0.148992E-01