[Pw_forum] Phonon Calculations: partial results

[lfhuang]

Dear Antonio:
     There is a small code that is capable of calculating the partial contribution of each atom in each phonon mode.
Link:
http://blog.sciencenet.cn/home.php?mod=space&uid=345795&do=blog&quickforward=1&id=422819

Best Wishes!
Yours Sincerely
L. F. Huang

> Date: Mon, 22 Aug 2011 11:03:48 -0300
> From: Antonio 
> Subject: [Pw_forum] Phonon Calculations: partial results
> To: pw_forum at pwscf.org
> Message-ID:
> 	
> Content-Type: text/plain; charset=ISO-8859-1
> 
> Dear QE's users.
> 
> I'm carrying out some phonon calculations using the Espresso4.1. I
> would like to ask if I can check the partial results, such as the
> first normal mode calculated.
> 
> Best regards!
> 
> -- 
> Doutorando Ant?nio M. Da Silva Jr.
> NEQC: Nucleo de Estudos em Quimica Computacional
> Departamento de Quimica - ICE
> Universidade Federal de Juiz de Fora
> Campus Universitario S/N 36.036-330
> Juiz de Fora - MG - Brasil
> http://lattes.cnpq.br/0895213089855328
> 


------
======================================================================
L.F.Huang(黄良锋) DFT and phonon physics
======================================================================
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: 86-551-5591464-326(office)
Fax: 86-551-5591434
======================================================================


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110822/36e54423/attachment.html>