iterations/neb0_image01_iter156_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 0.366135350607E+03 0.36614E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.323865458892E+01 -0.36290E+03 -0.35004E+03 839 0.196E+02
DAV: 3 -0.955632596676E+02 -0.98802E+02 -0.98452E+02 658 0.116E+02
DAV: 4 -0.100239335721E+03 -0.46761E+01 -0.46647E+01 704 0.291E+01
DAV: 5 -0.100332319460E+03 -0.92984E-01 -0.92938E-01 728 0.367E+00 0.223E+01
DAV: 6 -0.916902537430E+02 0.86421E+01 -0.30985E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908783178003E+02 0.81194E+00 -0.18263E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905016447873E+02 0.37667E+00 -0.55639E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904199247234E+02 0.81720E-01 -0.13302E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904152696758E+02 0.46550E-02 -0.47118E-02 712 0.125E+00 0.321E-01
DAV: 11 -0.904192474502E+02 -0.39778E-02 -0.76632E-03 616 0.553E-01 0.124E-01
DAV: 12 -0.904226557477E+02 -0.34083E-02 -0.65827E-03 621 0.458E-01 0.131E-01
DAV: 13 -0.904250777311E+02 -0.24220E-02 -0.15714E-03 864 0.304E-01 0.754E-02
DAV: 14 -0.904282171298E+02 -0.31394E-02 -0.14800E-03 639 0.195E-01 0.671E-02
DAV: 15 -0.904298614309E+02 -0.16443E-02 -0.31320E-04 688 0.114E-01 0.537E-02
DAV: 16 -0.904312267030E+02 -0.13653E-02 -0.10357E-03 661 0.197E-01 0.376E-02
DAV: 17 -0.904320646557E+02 -0.83795E-03 -0.14055E-04 661 0.797E-02 0.326E-02
DAV: 18 -0.904323828508E+02 -0.31820E-03 -0.80920E-05 669 0.450E-02 0.180E-02
DAV: 19 -0.904325670198E+02 -0.18417E-03 -0.89792E-05 639 0.525E-02 0.899E-03
DAV: 20 -0.904325964998E+02 -0.29480E-04 -0.82224E-06 512 0.195E-02 0.935E-03
DAV: 21 -0.904326349000E+02 -0.38400E-04 -0.72335E-06 404 0.147E-02 0.691E-03
DAV: 22 -0.904326463895E+02 -0.11490E-04 -0.47474E-06 480 0.170E-02 0.285E-03
DAV: 23 -0.904326493826E+02 -0.29930E-05 -0.59927E-06 504 0.140E-02
1 F= -.90432649E+02 E0= -.90437918E+02 d E =0.158048E-01