[Ifeffit] Ifeffit Digest, Vol 166, Issue 12
Bruce Ravel
bravel at bnl.gov
Fri Dec 16 12:14:55 CST 2016
On 12/16/2016 12:55 PM, Raj kumar wrote:
> Thanks for the explanation. Yes, both files are generating the same kind
> of output but the positioning of atoms can mislead in the context of
> structure. That's why i have raised the question.
Hi Raj,
But they are /the/ /same/ structure, so they give the same XAFS results,
which is the problem that all the versions of Atoms intend to solve.
Again, I don't think there is anything wrong that needs my attention.
Cheers,
B
--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Building 743, Room 114
Upton NY, 11973
Homepage: http://bruceravel.github.io/home/
Software: https://github.com/bruceravel
Demeter: http://bruceravel.github.io/demeter/
More information about the Ifeffit
mailing list