[Pw_forum] phonon calculation in finite temperature

Jia Chen jiachenchem at gmail.com
Thu Mar 28 16:39:24 CET 2013


Dear Wang Wei,

You can do that by running a MD at finite temperature, then analyzing
the trajectory.

Bests

On Mon, Mar 25, 2013 at 12:11 AM, wangwei <wangweiphysics at yahoo.com.cn> wrote:
> Dear,
> Whether the phonon calculation can be run in finite temperature by pwscf
> program? And how to set the temperature?
>
> With best regards and thanks for any reply!
>
> W. Wang
> Huaibei Normal University
>
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-- 
Jia Chen
webpage: www.princeton.edu/~jiachen



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