[Pw_forum] band structure for a 72 C atom supercell

[WF]

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.

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Wu Feng
Chemistry and Molecular Engineering, Peking University
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