[Pw_forum] Any convenient tool to find the phonon DOS?

Eyvaz Isaev eyvaz_isaev at yahoo.com
Sat Sep 20 21:37:04 CEST 2008


Dear Lawrence,

Please have a look at /examples/example07/run_example for calculation of the total phonon DOS.
If you need atom projected DOS, then I can send you the QHA code desined to calculate some thermodynamic properties.

Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Sat, 9/20/08, Lawrence Lee <lawrence_lee_lee at yahoo.com.hk> wrote:

> From: Lawrence Lee <lawrence_lee_lee at yahoo.com.hk>
> Subject: [Pw_forum] Any convenient tool to find the phonon DOS?
> To: "PW_Forum" <pw_forum at pwscf.org>
> Date: Saturday, September 20, 2008, 6:43 PM
> Dear all,
> 
> I have calculated the phonon dispersion for certain
> material, and would
> like to compute the phonon DOS. Are there any convenient
> codes/tools to
> perform this?
> 
> -- 
> S.H. Lee
> Research Assistant
> Physics Division
> The CUHK Graduate School
> 
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