[Ifeffit] Washington (Atoms)

Bruce Ravel bravel at bnl.gov
Sat Aug 25 08:24:58 CDT 2012

This is a very common question on the Ifeffit mailing list.  A bit of time 
searching at 


would turn up plenty of information.  Here's one example:



On Saturday, August 25, 2012 03:54:20 AM washington gomes wrote:
> Dear Colleague,
> Iwould
> like you to help me with attached file átomos.inp I am sending to you. Typed
> parameters atomic position of La0.7Sr0.3CoO3 atoms on the web.Atomsin the
> program for generating lists
> of atomic coordinates from crystallographic data and appearedthe following
> message after running atoms. These sites: "La1"  "Sr1" generate one or more
> common positions and their occupancies sum to more than 1.
> Yours sincerely: Washington
> C. M. Gomes

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

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
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