[Ifeffit] XANES from FEFF9

manju rao manju.rao007 at gmail.com
Tue Jul 17 23:49:51 CDT 2018

Thanks Matt for briefing about those parameters.

Actually the thing is, I don't have any literature support of the edge
which I am simulating. And the experimental data with me is greatly
differing from the simulated one, which is expected due to presence of
some defects in crystal structure. So, with FEFF, I want to see the
effect of defect introduction in crystal structure.

But the confusion is lying for the choice of parameters which I could
use for a particular simulation.


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