Hi Dien, On Wed, Aug 15, 2018 at 8:43 AM dien...@srnl.doe.gov <dien...@srnl.doe.gov> wrote:
> Hi, Carlo and Matt or others > > Attached please find the cif crystal structure data file for NaReO4 that > was downloaded from Crystallography Open database. As I added it into > Artemis for calculation, it gave error message saying that it has more than > 500 atoms that exceeds the limit. Could you help to troubleshooting?? > Thanks a lot. > > > Dien Li > The cluster of atoms used by Feff is limited to 500 atoms. I think you may need to restrict the cluster size and/or longest path to meet that limit. --Matt
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