iterations/neb0_image08_iter53_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 0.375235045196E+03 0.37524E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.375565465141E+01 -0.37148E+03 -0.35784E+03 869 0.196E+02
DAV: 3 -0.965364844723E+02 -0.10029E+03 -0.99960E+02 680 0.117E+02
DAV: 4 -0.100998742554E+03 -0.44623E+01 -0.44522E+01 688 0.280E+01
DAV: 5 -0.101087807568E+03 -0.89065E-01 -0.89025E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.925259992592E+02 0.85618E+01 -0.30780E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.916781755311E+02 0.84782E+00 -0.16694E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913012982239E+02 0.37688E+00 -0.55699E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912178108637E+02 0.83487E-01 -0.12738E-01 704 0.153E+00 0.423E-01
DAV: 10 -0.912083285966E+02 0.94823E-02 -0.47642E-02 720 0.111E+00 0.310E-01
DAV: 11 -0.912133553259E+02 -0.50267E-02 -0.14832E-02 608 0.624E-01 0.166E-01
DAV: 12 -0.912161638265E+02 -0.28085E-02 -0.32511E-03 641 0.247E-01 0.134E-01
DAV: 13 -0.912201749081E+02 -0.40111E-02 -0.26455E-03 680 0.295E-01 0.536E-02
DAV: 14 -0.912229990537E+02 -0.28241E-02 -0.47944E-04 664 0.113E-01 0.407E-02
DAV: 15 -0.912251989691E+02 -0.21999E-02 -0.19839E-04 653 0.609E-02 0.312E-02
DAV: 16 -0.912262261011E+02 -0.10271E-02 -0.31786E-04 669 0.863E-02 0.234E-02
DAV: 17 -0.912265324451E+02 -0.30634E-03 -0.40583E-05 608 0.421E-02 0.133E-02
DAV: 18 -0.912267691045E+02 -0.23666E-03 -0.49243E-05 567 0.310E-02 0.762E-03
DAV: 19 -0.912268010935E+02 -0.31989E-04 -0.60919E-06 528 0.206E-02 0.344E-03
DAV: 20 -0.912268358102E+02 -0.34717E-04 -0.89752E-06 398 0.171E-02 0.432E-03
DAV: 21 -0.912268543466E+02 -0.18536E-04 -0.21926E-06 469 0.720E-03 0.367E-03
DAV: 22 -0.912268589906E+02 -0.46440E-05 -0.22130E-06 458 0.108E-02
1 F= -.91226859E+02 E0= -.91231882E+02 d E =0.150700E-01