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 ------------------------------------ bra...@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/
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