Hi Dien,

On Wed, Aug 15, 2018 at 8:43 AM Dien.Li@srnl.doe.gov <Dien.Li@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