<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Eli,<br><br>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. <br><br>Bests,<br>Eyvaz.<br><div> -------------------------------------------------------------------<br></div>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b>
eli <elahe_afrodit@yahoo.com><br><b><span style="font-weight: bold;">To:</span></b> pw_forum@pwscf.org<br><b><span style="font-weight: bold;">Sent:</span></b> Mon, August 16, 2010 1:41:24 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] Gruneisen parameter in nanowires<br></font><br>
<table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font: inherit;" valign="top">Dear all<br>In phonon calculation for nanowires how do we calculate Gruneisen parameter? I mean what is volume in gruneisen formula for nanowires? <br><br>Elahe Teimouri<br>
Computational Condensed Matter Research Lab<br>
Physics Department, Isfahan University of Technology, Isfahan, Iran<br>
Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746</td></tr></tbody></table><br>
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