[Pw_forum] Gruneisen parameter in nanowires

[Eyvaz Isaev]

Dear Eli,

As you use a supercell suggesting quite large size along Z-direction, so, you 
have 2D case. Thus, you should find  the Gruneisen parameter in plane.  


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: eli <elahe_afrodit at yahoo.com>
To: pw_forum at pwscf.org
Sent: Mon, August 16, 2010 1:41:24 PM
Subject: [Pw_forum] Gruneisen parameter in nanowires


Dear all
In phonon calculation for nanowires how do we calculate Gruneisen parameter? I 
mean  what is volume in gruneisen formula for nanowires? 


Elahe Teimouri
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Isfahan, Iran
Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746 



      
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