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Dear Wu,<div><br></div><div>Thanks for your reply. Is there any other executable that does this?what about Gnuplot? does it follow the same procedure or is different?</div><div><br></div><div>Thanks again</div><div><br></div><div>Elie<br><br><div>> From: kalamaillist@gmail.com<br>> To: pw_forum@pwscf.org<br>> Date: Sun, 4 Dec 2011 00:01:59 +0800<br>> Subject: Re: [Pw_forum] band structure for a 72 C atom supercell<br>> <br>> At Sat, 3 Dec 2011 13:53:03 +0000, Elie M writes:<br>> <br>> >Dear all,<br>> >I computed the electronic band structure of a 72 Carbon atom supercell but<br>> the result shows a lot of wiggles in the ? energies? Do I have to use more<br>> points or might it be due to something else?<br>> >You will find the ps plot attached<br>> >Regards<br>> <br>> >Elie MoujaesUnIVERISTY od NottinghamNG7 2RDUK<br>> <br>> In my experience the band structure plotted by plotband.x may give<br>> unphysical band crossing. You can just plot the raw data in the original<br>> order to avoid this, however band-crossing will be totally lost.<br>> <br>> --------------------------------------------------<br>> Wu Feng<br>> Chemistry and Molecular Engineering, Peking University<br>> --------------------------------------------------<br>> <br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://www.democritos.it/mailman/listinfo/pw_forum<br></div></div> </div></body>
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