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How to choose the POTCAR for mBJ calculation?

Posted: Fri Jun 13, 2014 8:37 am
by hol28
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

Re: How to choose the POTCAR for mBJ calculation?

Posted: Thu Sep 12, 2024 7:33 am
by support_vasp

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.

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VASP