[Pw_forum] phonon dispersion

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Apr 27 07:14:25 CEST 2011


I suppose, the best way to plot phonons is PlotPhon utility in  QE.
What you need is IFC-matrix (*.fc file).
See examples in /PlotPhon/Examples how to launch them.


Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com

From: 昶棘汐 <tanycimr at gmail.com>
To: pw_forum at pwscf.org
Sent: Wed, April 27, 2011 5:21:59 AM
Subject: [Pw_forum] phonon dispersion

Dear all 
I want to calculate the phonon dispersion of B12 at the first Brillouin  Zone . 
i don't know which program should I use ? Please give me some advice . And if 
it's possible ,please give me a example ?

thanks in advance .
Nankai university , tianjin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110426/69710145/attachment.html>

More information about the users mailing list