[Pw_forum] bulk module (orthorhombic)

[程迎春]

Dear Saeedian,
       If you are just interested in the bulk modulus, you can do a
"vc-relax" calculation with "press='a series a value'". Then you can use the
ev.x program to get the bulk modulus.  But if you want to get the elastic
constants, as far as I know, PWscf can not do it straightly.

2009/5/4 meghdad saeedian <meghdad_saeedian at yahoo.com>

>  Dear all,
>
> How can I calculate the bulk module for an *orthorhombic *lattice* * with
> espresso?
>
> Best regards,
> Saeedian
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090504/0b7f9024/attachment.html>