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polarized Feff
Alex, John,
I know I've asked this same question many years ago, but I'm
still confused, so maybe others are confused too:
How do I get a polarization average from Feff?
I'd like to average the polarization of an L edge over the ab
plane in a crystal. A simple cos^2 is not good enough for L
edge, and I really want a polarization average. Circular
polarization seems to be one approach.
=Question 0: Should circular polarization along z give a
polarized average of the ab plane?
Assuming it will, the doc says
ELLIPITICY 1. 0. 0. -2.
would have circular polarization.
=Question 1: Why -2?
=Question 2: Do I also need to set
POLARIZATION 1. 0. 0.
(or anywhere else in the ab plane?)
My recollection is that this is needed. The doc is somewhat
ambiguous. The weird thing is that when I use
POLARIZATION 1. 0. 0.
ELLIPITICIY 1. 0. 0. 1.
I seem to get only paths with a finite Z component, and none in
the ab-plane.
Commenting out the ELLIPICITY card gives paths entirely within
the ab-plane, though it is not an average in the ab-plane.
Commenting out the POLARIZATION card gives paths entirely within
the ab-plane, but it appears that this gives no polarization
dependence at all.
Is there any way to turn degeneracy checking off?
Thanks,
--Matt
PS: I'm using Feff824. I'm assuming this is the latest, but
have no idea if this is actually the case.