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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111203/560ba7cf/attachment-0001.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: GB72.bands.ps Type: application/postscript Size: 49174 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20111203/560ba7cf/attachment-0001.ps