Sanjeev,<br><br>Its the same thing which I explained to you
earlier.......Why gon&#39;t you go through this paper......Reviews of
Modern Physics, vol 64, page 1045 (1992) by M. C. Payne et al.......In
Section IIC (Periodic supercells), of the paper they have explained everything.<br>
<br>Prasenjit<br><br><div class="gmail_quote">2008/11/13 sanjeev gupta <span dir="ltr">&lt;<a href="mailto:sanjeev0302@rediffmail.com">sanjeev0302@rediffmail.com</a>&gt;</span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<p>
<br>
Thank you sir.&nbsp; <br>
<br>
Please explain more &quot;it seems you should introduce&nbsp; certain vacuum layers to define so-called nano systems due to periodic scheme used in QE&quot; For nano&quot;, the non-periodic scheme will used. How I introduced vacuum layers?<br>

<br>
Please suggest me more.<br>
kind regards<br>
sanjeev gupta <br>
<br>
On Wed, 12 Nov 2008 lan haiping wrote :</p><div class="Ih2E3d"><br>
&gt;As far As i know,<br>
&gt;for nanostructures, time is demanding for e-ph calculations.<br>
&gt;<br>
&gt;with respect to the difference between nano and bulk systems,<br>
&gt;it seems you should introduce&nbsp; certain vacuum layers to define so-called<br>
&gt;nano systems due to periodic scheme used in QE.<br>
&gt;<br>
&gt;regards<br>
&gt;<br>
&gt;On Thu, Nov 13, 2008 at 12:31 AM, sanjeev gupta<br>
&gt;&lt;<a href="mailto:sanjeev0302@rediffmail.com" target="_blank">sanjeev0302@rediffmail.com</a>&gt;wrote:<br>
&gt;<br>
&gt; &gt;<br>
&gt; &gt; Dear PWSCF users,<br>
&gt; &gt;<br>
&gt; &gt; I am using Quantum espresso package for DFT calculation for noble nitride<br>
&gt; &gt; systems. My main interest in electron-phonon calculation and Raman tensor<br>
&gt; &gt; etc. Sir, I want to know, what will be change in SCF or NSCF file for<br>
&gt; &gt; nanostructures calculation? or where is difference in bulfk or nano? I want<br>
&gt; &gt; to do calculation on nanostructre?, what i do ?<br>
&gt; &gt; Please help me .<br>
&gt; &gt;<br>
&gt; &gt; Kind Regards<br>
&gt; &gt; sanjeev gupta<br>
&gt; &gt; S. K. Gupta<br>
&gt; &gt; PhD Candidate,<br>
&gt; &gt; Dept. of Physics,<br>
&gt; &gt; Bhavnagar University.<br>
&gt; &gt; Bhavnagar, 364 002., Gujarat.<br>
&gt; &gt;<br>
&gt; &gt;<br></div>
&gt; &gt; [image: Rediff Shopping]&lt;<a href="http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-default.htm/1050715198@Middle5/2206641_2199021/2201651/1?PARTNER=3&amp;OAS_QUERY=null" target="_blank">http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-default.htm/1050715198@Middle5/2206641_2199021/2201651/1?PARTNER=3&amp;OAS_QUERY=null</a>&gt;<div class="Ih2E3d">
<br>
&gt; &gt; _______________________________________________<br>
&gt; &gt; Pw_forum mailing list<br>
&gt; &gt; <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
&gt; &gt; <a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
&gt; &gt;<br>
&gt; &gt;<br>
&gt;<br>
&gt;<br>
&gt;--<br>
&gt;Hai-Ping Lan<br>
&gt;Department of Electronics ,<br>
&gt;Peking University , Bejing, 100871<br>
&gt;<a href="mailto:lanhaiping@gmail.com" target="_blank">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn" target="_blank">hplan@pku.edu.cn</a><br>
&gt;_______________________________________________<br>
&gt;Pw_forum mailing list<br>
&gt;<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
&gt;<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>

</div><div><div></div><div class="Wj3C7c">


S. K.&nbsp;Gupta
<br>
PhD Candidate,
<br>
Dept. of&nbsp;Physics,
<br>
Bhavnagar University.
<br>
Bhavnagar, 364&nbsp;002., Gujarat.
<br>
<br><br>
<table style="font-family: Verdana; font-size: 11px; line-height: 15px;" border="0" cellpadding="0" cellspacing="0" height="57" width="644"><tbody><tr><td><a href="http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-default.htm/1050715198@Middle5/2206641_2199021/2201651/1?PARTNER=3&amp;OAS_QUERY=null" target="_blank"><img alt="Rediff Shopping" border="0"></a></td>
</tr></tbody></table></div></div><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br><br clear="all"><br>-- <br>PRASENJIT GHOSH,<br>POST-DOC,<br>ROOM NO: 265, MAIN BUILDING,<br>CM SECTION, ICTP,<br>STRADA COSTERIA 11,<br>TRIESTE, 34104,<br>ITALY<br>PHONE: +39 040 2240 369 (O)<br>
 &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;+39 3807528672 (M)<br>