[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
http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/
would turn up plenty of information. Here's one example:
http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg03400.html
B
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
EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
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