Nearly Free Electron Energy Bands
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 8
- Joined: Wed Nov 30, 2005 2:43 am
- Location: USA
Nearly Free Electron Energy Bands
Dear VASPians,
I would like to draw sort of "nearly free electron energy bands" with VASP.
How can I mimic band structures under nearly free electronic approximation?
If I should "rescale" the potential, then which part of POTCAR should I change?
Is there any short cut for doing this? (like hidden TAGs for scaling...)
Or is there any tools for generating free electron band structures for given crystal structures?
Many thanks in advance.
<span class='smallblacktext'>[ Edited ]</span>
I would like to draw sort of "nearly free electron energy bands" with VASP.
How can I mimic band structures under nearly free electronic approximation?
If I should "rescale" the potential, then which part of POTCAR should I change?
Is there any short cut for doing this? (like hidden TAGs for scaling...)
Or is there any tools for generating free electron band structures for given crystal structures?
Many thanks in advance.
<span class='smallblacktext'>[ Edited ]</span>
Last edited by sondon on Thu Oct 11, 2012 11:54 am, edited 1 time in total.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Nearly Free Electron Energy Bands
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