[Ifeffit] DAFS calculation

[Bruce Ravel]

No version of Atoms has ever done anything more than simple simulations 
intended to help plan a DAFS measurement.

To my knowledge, there is no general purpose software for DAFS that is 
widely available.  I certainly haven't written any.  That said, Larch 
has a lot of the tools you'd need to make headway, including 
cross-sections (http://xraypy.github.io/xraylarch/xray/index.html) and a 
Kramers-Kronig transformation 
(https://github.com/xraypy/xraylarch/blob/master/plugins/xafs/diffkk.py 
-- written by me, possibly correctly).

Since DAFS is so little used, it remains a sort of entrepreneurial 
endeavor.  If you are willing to make the measurement, I think you have 
to also be willing to deal with the data on your own.

B

On 01/14/2016 08:00 PM, JeongEunSuk wrote:
>    Hello
>
> I've heard that Atoms 3.0 code is available to calculate DAFS.
> I would like to calculate it. Do you have any example for it?
> I don't know how to use keywords in Atoms 3.0 such as dafs, emin, emax
> and others.
>
> Best regards
>
> Eun-Suk Jeong
>
>
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-- 
  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
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  Upton NY, 11973

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