<div>thanks for replies. </div><div><br></div>The difference of omega at gamma point is caused by accuracy and "band folding", I think. Because when I tried to calculated the whole dispersion curve, the dispersion curve is almost same for fcc and sc，though there is "band folding" for sc structure.<br>
<br><div><span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">------------------------------</span><span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">----------------------------</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Jingjie Zhang</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Graduate student at University of Virginia</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">email: </span><a href="mailto:jz9wp@virginia.edu" style="color:rgb(17,85,204);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">jz9wp@virginia.edu</a></div>
<div><br><div class="gmail_quote">On Sun, Oct 21, 2012 at 6:00 AM, <span dir="ltr"><<a href="mailto:pw_forum-request@pwscf.org" target="_blank">pw_forum-request@pwscf.org</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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Today's Topics:<br>
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1. Re: IFCs and Difference between unit cell and supercell<br>
(karan deep)<br>
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Message: 1<br>
Date: Sat, 20 Oct 2012 23:33:59 +0530<br>
From: karan deep <<a href="mailto:karandeepster@gmail.com">karandeepster@gmail.com</a>><br>
Subject: Re: [Pw_forum] IFCs and Difference between unit cell and<br>
supercell<br>
To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
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<CA+PV1XDk+0xVYqB_qVMihY81m_i+T44fQM4bdNBxG0FFCa4=<a href="mailto:OQ@mail.gmail.com">OQ@mail.gmail.com</a>><br>
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thanks for replies<br>
<br>
> 510.2 cm-1<br>
>this is the optical mode. All other zone-center modes of the sc lattice<br>
>do not correspond to zone-center modes of the fcc lattice.<br>
<br>
could u please provide any information regarding method<br>
on how to find out zone-center modes calculated from *any<br>
supercell* that actually belongs zone-center modes of primitive unit<br>
cell.<br>
<br>
<br>
<br>
Karandeep<br>
Research Scholar<br>
Physics Department,<br>
IIT, Delhi<br>
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