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 > -------------------------------------------------- > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111203/0ad80547/attachment.htm
