[Pw_forum] Virtual crystal approximation for vacancy

[yuning wu]

Dear all,

I am considering to use virtual crystal approximation to study a system 
with vacancy doped, and I do not know what I am supposed to generate a 
VCA psuedopotential for a mixture of an atom and a vacancy. I guess it 
is zero for the vacancy but I am not sure. Any ideas please? Thanks very 
much.

Best,

Yuning

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Yuning Wu
Department of Physics & Quantum Theory Project
University of Florida
Gainesville, FL 32611