Dear Vasp users,
I want to determine the valence band maximum for a material with indirect gap at L (1/2 1/2 1/2) point.
Since I have a 2*2*2 supercell, and because of the folding in band structure, I'm not sure whether I can use energy of the highest occupied band at L as VBM or not!?
Or since my supercell size is doubled, the L point folded on gamma point, and I sholud read energy of the highest occupied band at gamma?
thanks alot in advance
Regards,
VBM for indirect gap material
Moderators: Global Moderator, Moderator
-
mamini
- Newbie
- Posts: 3
- Joined: Tue May 18, 2010 9:18 am
- License Nr.: 5-568
VBM for indirect gap material
Last edited by mamini on Wed Sep 29, 2010 9:47 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: VBM for indirect gap material
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP