[Ifeffit] DAFS calculation

JeongEunSuk eunsuk1986 at hotmail.com
Wed Jan 20 23:34:38 CST 2016


Dear Bravel
 
Thank you for your kind e-mail.
 
I am looking at Larch and following Larch Totorial. When I clicked 8.8 XAFS: diffkk section, the website was not found.
 
how can I contact that wensite section?
 

 
> To: ifeffit at millenia.cars.aps.anl.gov
> From: bravel at bnl.gov
> Date: Sat, 16 Jan 2016 14:49:09 -0500
> Subject: Re: [Ifeffit] DAFS calculation
> 
> 
> 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
>   Building 535A
>   Upton NY, 11973
> 
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