Hi, If your system has the HOMO, LUMO states, then all you need is to use the option "nband" in the scf input file and give a few more empty bands from what you currently have in your system (half of the total electrons).
From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of Banafshe Noori Sent: 16 May 2014 07:43 To: pw_forum at pwscf.org Subject: [Pw_forum] drawing the HOMO and LUMO Dear all, Hi How can draw the HOMO and LUMO orbital of nanotube with pwscf package? please guide me. thanks. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140516/443e1d8c/attachment.html
