[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
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