[Wien] doping
Mh Mi
ml_ph2010 at yahoo.com
Wed Oct 8 10:22:27 CEST 2014
Dear all
I'm working in magnetic alloy.I want to doping Co1-xFex with VCA approximation,I changed struct,in2,inst.How do I change in inst file's Co for x=0.5?
inst file for Co
Ar 3
3, 2,2.0 N
3, 2,2.0 N
3,-3,3.0 N
3,-3,0.0 N
4,-1,1.0 N
4,-1,1.0 N
inst file for Fe
Ar 3
3, 2,2.0 N
3, 2,2.0 N
3,-3,2.5 N
3,-3,0.0 N
4,-1,1.0 N
4,-1,0.5 N
Best wishesLeyla
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20141008/f760619b/attachment.html>
More information about the Wien
mailing list