[Pw_forum] band structure for a 72 C atom supercell

[Elie M]

Dear Wu,
Thanks for your reply. Is there any other executable that does this?what about Gnuplot? does it follow the same procedure or is different?
Thanks again
Elie

> From: kalamaillist at gmail.com
> To: pw_forum at pwscf.org
> Date: Sun, 4 Dec 2011 00:01:59 +0800
> Subject: Re: [Pw_forum] band structure for a 72  C atom supercell
> 
> At Sat, 3 Dec 2011 13:53:03 +0000, Elie M writes:
> 
> >Dear all,
> >I computed the electronic band structure of a 72 Carbon atom supercell but
> the result shows a lot of wiggles in the ? energies? Do I have to use more
> points or might it be due to something else?
> >You will find the ps plot attached
> >Regards
> 
> >Elie MoujaesUnIVERISTY od NottinghamNG7 2RDUK
>  		 	   		  
> In my experience the band structure plotted by plotband.x may give
> unphysical band crossing. You can just plot the raw data in the original
> order to avoid this, however band-crossing will be totally lost.
> 
> --------------------------------------------------
> Wu Feng
> Chemistry and Molecular Engineering, Peking University
> --------------------------------------------------
> 
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