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@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/