Page 1 of 1

How to obtain Evbm from the bulk calculation?

Posted: Tue Nov 27, 2012 1:20 am
by ckindft
Dear all vasp users,

I am trying to obtain the valence band maximum relative to the average electrostatic potential for GaN.

I found the value from OUTCAR file in band structure calculation.

band energies occupation
5.1346 1.76290
7.0885 0.00000

Is 5.1346 eV the bulk Evbm relative to average electrostatic potential?

Your help/suggestion would be very useful to me. Please help.

Thanks,
CK

Re: How to obtain Evbm from the bulk calculation?

Posted: Thu Sep 12, 2024 7:53 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.

Best wishes,

VASP