<P>
<BR>
Thank you sir. <BR>
<BR>
Please explain more "it seems you should introduce certain vacuum layers to define so-called nano systems due to periodic scheme used in QE" For nano", 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 :<BR>
>As far As i know,<BR>
>for nanostructures, time is demanding for e-ph calculations.<BR>
><BR>
>with respect to the difference between nano and bulk systems,<BR>
>it seems you should introduce certain vacuum layers to define so-called<BR>
>nano systems due to periodic scheme used in QE.<BR>
><BR>
>regards<BR>
><BR>
>On Thu, Nov 13, 2008 at 12:31 AM, sanjeev gupta<BR>
><sanjeev0302@rediffmail.com>wrote:<BR>
><BR>
> ><BR>
> > Dear PWSCF users,<BR>
> ><BR>
> > I am using Quantum espresso package for DFT calculation for noble nitride<BR>
> > systems. My main interest in electron-phonon calculation and Raman tensor<BR>
> > etc. Sir, I want to know, what will be change in SCF or NSCF file for<BR>
> > nanostructures calculation? or where is difference in bulfk or nano? I want<BR>
> > to do calculation on nanostructre?, what i do ?<BR>
> > Please help me .<BR>
> ><BR>
> > Kind Regards<BR>
> > sanjeev gupta<BR>
> > S. K. Gupta<BR>
> > PhD Candidate,<BR>
> > Dept. of Physics,<BR>
> > Bhavnagar University.<BR>
> > Bhavnagar, 364 002., Gujarat.<BR>
> ><BR>
> ><BR>
> > [image: Rediff Shopping]<http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-default.htm/1050715198@Middle5/2206641_2199021/2201651/1?PARTNER=3&OAS_QUERY=null><BR>
> > _______________________________________________<BR>
> > Pw_forum mailing list<BR>
> > Pw_forum@pwscf.org<BR>
> > http://www.democritos.it/mailman/listinfo/pw_forum<BR>
> ><BR>
> ><BR>
><BR>
><BR>
>--<BR>
>Hai-Ping Lan<BR>
>Department of Electronics ,<BR>
>Peking University , Bejing, 100871<BR>
>lanhaiping@gmail.com, hplan@pku.edu.cn<BR>
>_______________________________________________<BR>
>Pw_forum mailing list<BR>
>Pw_forum@pwscf.org<BR>
>http://www.democritos.it/mailman/listinfo/pw_forum<BR>
</P>
S. K. Gupta
<br>
PhD Candidate,
<br>
Dept. of Physics,
<br>
Bhavnagar University.
<br>
Bhavnagar, 364 002., Gujarat.
<br>
<br><br>
<Table border=0 Width=644 Height=57 cellspacing=0 cellpadding=0 style='font-family:Verdana;font-size:11px;line-height:15px;'><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&OAS_QUERY=null' target=new ><img src ='http://imadworks.rediff.com/cgi-bin/AdWorks/adimage.cgi/2206641_2199021/creative_2201651.gif' alt='Rediff Shopping' border=0></a></td></TR></Table>