I have many projected bulk band figures of semiconductor surface in references, and want to know how to plot the projected bulk band of semiconductor surface. Could anyone help me ?
<span class='smallblacktext'>[ Edited ]</span>
How to plot the projected bulk band of semiconductor surface?
Moderators: Global Moderator, Moderator
-
orlando
- Newbie
- Posts: 3
- Joined: Wed Jul 12, 2006 11:28 am
How to plot the projected bulk band of semiconductor surface?
Last edited by orlando on Sat Sep 30, 2006 1:17 am, edited 1 time in total.
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
How to plot the projected bulk band of semiconductor surface?
there is no standard utility in VASP to do that. You first have to figure out which of the bands are the bulk and which are the surface states, (set LORBIT=11 and have a look at the PROCAR file, p4vasp allows to mark bands with a certain percetage of charge localized at selected atoms) . However, to plot the projected bulk bands, you have to write a small program yourself (define the area which is enclosed by the projected bulk bands and shade this area.)
Last edited by admin on Tue Oct 03, 2006 9:11 am, edited 1 time in total.