[Ifeffit] Path Missing Using Artemis

lijuncha at msu.edu lijuncha at msu.edu
Tue Mar 8 15:10:58 CST 2016


Hi all,

During my use of  Artemis, I found out that the FEEF paths finder had  
some problem with my atom, which is Cu12Sb4S13 in the attachment. I  
firstly ran atom on Cu12e, then ran the FEFF calculation. Then I found  
that the S24g.1 path was missing. Since S24g is near the core atom  
Cu12e and the path should exist, I was confused to send the message  
and hopefully get your response.

Thanks,
Junchao
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Cu12Sb4S13.cif
Type: chemical/x-cif
Size: 2580 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20160308/b1c2d3ed/attachment-0001.cif>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Cu10Zn2.fpj
Type: application/zip
Size: 1329206 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20160308/b1c2d3ed/attachment-0001.zip>


More information about the Ifeffit mailing list