15 Aug
2018
15 Aug
'18
2:06 p.m.
Hi Dien,
On Wed, Aug 15, 2018 at 8:43 AM Dien.Li@srnl.doe.gov
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