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

[Stefano Baroni]

may I add the recommendation that one should try to understand methods  
and approximations (if, when, and how they work) _BEFORE_ using them?  
cheers - SB

On Oct 19, 2009, at 8:35 AM, Paolo Giannozzi wrote:

>
> 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
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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