Do you just mean virtual crystal approximation ? If so, you can have a look at $QE/upftools/virtual.f90. <br>But you should make sure some basic knowledge of virtual crystal approximation.<br><br>regards,<br><br><div class="gmail_quote">
On Sat, May 30, 2009 at 1:33 PM, Javier Camarillo Cisneros <span dir="ltr"><<a href="mailto:javier.camarillo@cimav.edu.mx">javier.camarillo@cimav.edu.mx</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>
Hi to all,<br>
<br>
I have a question about atom occupied factor<br>
<br>
Is there a way to assign a number between .1 to 1 to two different atoms<br>
in the same position?<br>
<br>
Thanks<br>
Javier<br>
<br>
---------<br>
Javier Camarillo<br>
Centro de Investigación en Materiales Avanzados, Chihuahua, Mexico<br>
<br>
<br>
Javier Camarillo Cisneros<br>
CIMAV<br>
Student at M.C. Materiales<br>
(044614) 1520453<br>
Chihuahua, MX<br>
<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>