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
 
Sent: Tuesday, April 23, 2013 11:04 PM
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

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