[Pw_forum] coordination system for polarizations in matdyn.modes

lfhuang lfhuang at theory.issp.ac.cn
Wed Feb 11 07:28:41 CET 2009


Dear prof. Isaev:
    Thank you for your help and correction! Yes I had mixed "polarization" and "epsilon" due to not taking the 
designation "polarization" seriously before. 
    Thank you very much!
Best Wishes!

Yours Sincerely
L.F.Huang


> Date: Tue, 10 Feb 2009 04:13:44 -0800 (PST)
> From: Eyvaz Isaev 
> Subject: Re: [Pw_forum] coordination system for polarizations in
> 	matdyn.modes
> To: PWSCF Forum 
> Message-ID: 
> Content-Type: text/plain; charset=utf-8
> 
> Dear Huang,
> 
> > the polarizations (epsilon) of vibrating atoms is in the output file
> 
> This looks somewhat strange. I mean mixed "polarization and epsilon". 
> 
> > Is it Cartesian coordination(I guess so)? 
> 
> If you mean displacements in matdyn.modes, it is, you are right.
> 
> 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 Tue, 2/10/09, lfhuang  wrote:
> 
> > From: lfhuang 
> > Subject: [Pw_forum] coordination system for polarizations in matdyn.modes
> > To: "pw_forum" 
> > Date: Tuesday, February 10, 2009, 8:43 AM
> > Hello everyone:
> >    Could anyone tell me what the coordination system for
> > the polarizations (epsilon) of vibrating atoms is in the
> > output 
> > file matdyn.modes of matdyn.x? Is it Cartesian
> > coordination(I guess so)? or lattice coordination?
> >  
> > I'd like to appreciate any help!
> > 
> > Best Wishes!
> > 
> > Yours Sincerely
> > L.F.Huang
> > ------
> > ------
======================================================================
L.F.Huang(黄良锋) lfhuang at theory.issp.ac.cn
======================================================================
Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-328(office)
Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn    (website of our institute)
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