[Pw_forum] How to calculate partial density of phonon states?

[Eyvaz Isaev]

Hi, 

I will send you the code which is exactly what is you need.

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 Wed, 6/25/08, preface767 at sina.com <preface767 at sina.com> wrote:

> From: preface767 at sina.com <preface767 at sina.com>
> Subject: [Pw_forum] How to calculate partial density of  phonon states?
> To: pw_forum at pwscf.org
> Date: Wednesday, June 25, 2008, 5:07 PM
> Dear all
> &nbsp;&nbsp;I'm&nbsp;a freshman&nbsp;in
> QE. I have calculated&nbsp;density of phonon
> states&nbsp;&nbsp;of&nbsp; TiMoH using QE
> 3.2.3. But I don’t know how to calculate the partial
> density of &nbsp;phonon states of H in
> TiMoH.&nbsp;What should I do to get it started? Is
> there any code in QE 3.2.3&nbsp;can be used
> for&nbsp;this task? Or, should any set-up be done
> in&nbsp;the input files?&nbsp;Is there anybody can
> give me some suggestions?
> Regards
> ------------------------------------------------
> Xu&nbsp;xu
> Shenyang&nbsp;National&nbsp;Laboratory&nbsp;for&nbsp;Materials&nbsp;Sciences&nbsp;(SYNL)
> Institute&nbsp;of&nbsp;Metal&nbsp;Research&nbsp;(IMR)&nbsp;
> Chinese&nbsp;Academy&nbsp;of&nbsp;Sciences&nbsp;(CAS)
> E-mail:&nbsp;preface767 at sina.com
> 
> 
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