[Ifeffit] artemis can not use a cif file
Ravel, Bruce
bravel at bnl.gov
Tue Apr 23 10:04:15 CDT 2013
Shaofeng,
What have you tried so far to address your problem?
B
________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Shaofeng Wang [wangshaofeng at 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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