[Ifeffit] How to use ATOM on this file?

"Dr. Dariusz A. Zając" kicaj at ifj.edu.pl
Sat May 5 02:18:42 CDT 2012

Hi Wei Li,
I guess that ATOM makes some errors about atoms laying too close? Am I 
right? (sorry I can not check cif file now) Could you write something 
more about the problem and sample?
If I understood you want to create a Al doped Zn compound - in the 
archive of this mailing list are some examples how to do it.

W dniu 12-05-05 04:50, Wei Li pisze:
> Hello, Bruce,
> I have a *.cif, in which structure contains Zn and Al in the same site 
> but diferent ratio. I cannot use ATOM to build a cluster for Feff. I 
> am wonder if you could figure this out. Thanks in advance!
> best wishes
> yours
> Wei Li
> -- 
> Wei Li
> Postdoc researcher
> Environmental Soil Chemistry Group
> Delaware Environmental Institute
> University of Delaware, Newark,19713
> Tel:631-949-0663
> http://ag.udel.edu/soilchem/li.html <http://ag.udel.edu/soilchem/>
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