[Pw_forum] about atom occupied factor

[lan haiping]

Do you just mean virtual crystal approximation ? If so,  you can have a look
at $QE/upftools/virtual.f90.
But you should make sure some basic knowledge of virtual crystal
approximation.

regards,

On Sat, May 30, 2009 at 1:33 PM, Javier Camarillo Cisneros <
javier.camarillo at cimav.edu.mx> wrote:

>
> Hi to all,
>
> I have a question about atom occupied factor
>
> Is there a way to assign a number between .1 to 1 to two different atoms
> in the same position?
>
> Thanks
> Javier
>
> ---------
> Javier Camarillo
> Centro de Investigación en Materiales Avanzados, Chihuahua, Mexico
>
>
> Javier Camarillo Cisneros
> CIMAV
> Student at M.C. Materiales
> (044614) 1520453
> Chihuahua, MX
>
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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