[Ifeffit] FEFF input files

[Bruce Ravel]

On Monday, July 04, 2011 09:43:32 am Bernt Johannessen wrote:
> Anna's more recent e-mail (thanks Anna!) seems to bring me closer to an
> answer I can believe in, although the database she refers to has two Gd2O3
> entries, each giving two quite different answers in terms of paths.

Using the crystallography literature is often hard and confusing.  At some 
point you have to buckle down and read the sources for the crystal data to 
figure out which structure is the one you want.

Of course, this chore is often made more difficult by bugs in Artemis, but 
that's a topic for another day... :/ 

B

-- 

 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
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