[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20130423/556f5946/attachment.html>


More information about the Ifeffit mailing list