[Pw_forum] How to generate a pp which is 3/4 of itself using virtual.x

[Paolo Giannozzi]

On Oct 19, 2009, at 4:57 , Jun Dai wrote:

> Is it possible or reasonable?

it is possible, but hardly reasonable. Virtual crystal
approximation works for cases like A(x) B(1-x)
substitutional alloys, when A and B are not too
different. In your case A=Oxygen and B=nothing.

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
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