[Pw_forum] drawing the HOMO and LUMO

[Hadi Arefi]

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:pw_forum-bounces at pwscf.org] 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://lists.quantum-espresso.org/pipermail/users/attachments/20140516/443e1d8c/attachment.html>