Hi Bruce, Thanks for your concern. I just simply modified the site_occupancy to 1. I don’t know if my method is correct, but I did get path from feff calculation. Shaofeng From: Ravel, Bruce Sent: Tuesday, April 23, 2013 11:04 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] artemis can not use a cif file Shaofeng, What have you tried so far to address your problem? B -------------------------------------------------------------------------------- From: ifeffit-bounces@millenia.cars.aps.anl.gov [ifeffit-bounces@millenia.cars.aps.anl.gov] on behalf of Shaofeng Wang [wangshaofeng@iae.ac.cn] Sent: Monday, April 22, 2013 10:54 PM To: XAFS Analysis using Ifeffit Subject: [Ifeffit] artemis can not use a cif file Hi Bruce, I want to use a crystal structure file to calculate the path. But the software remind me it can not use crystal data whick has sites of partial occupancy. How can I solve this problem. See the file in attachment. Shaofeng -------------------------------------------------------------------------------- _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit