On 04/18/2017 11:10 AM, Fuxiang Zhang wrote:
Hi, all, I am in studying the EXAFS of perovskite and clearly see the split of the first peak after ion irradiation. It should come from a symmetry change, so I use a tetragonal model (instead the original cubic) which contains two independent O sites. However, after running Atoms and Feff, all paths are contributed by only one O atom and nothing related to another Oxygen atoms (see attached file). As a result it may be difficult to get a good fit of the first split Ta-O peaks. I am not sure if it is true or something wrong. Thank you very much
A fairly common question here on the mailing list. This is a *feature* of Artemis, not a bug. http://bruceravel.github.io/demeter/documents/Artemis/extended/fuzzy.html If you want to /model/ a split in distance, you can drag that path into the path list twice and adjust the delta R and amplitude parameters accordingly. 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/