[Pw_forum] phonon dispersion
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Apr 27 07:14:25 CEST 2011
Hi,
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.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
Russia,
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 .
Tanyci
Nankai university , tianjin
china
-------------- 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