Dear all,
I am trying to reproduce a good band gap using the mBJ method. I add in the INCAR file: METAGGA = MBJ. Then is there a corresponding POTCAR for mBJ calculation or I can choose any form of POTCAR which "includes information on the kinetic energy density of the core electrons" ?
Any suggestion will be appreciated.
Hongyan
How to choose the POTCAR for mBJ calculation?
Moderators: Global Moderator, Moderator
-
hol28
How to choose the POTCAR for mBJ calculation?
Last edited by hol28 on Fri Jun 13, 2014 8:37 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: How to choose the POTCAR for mBJ calculation?
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