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LREAL = On != LREAL = .TRUE.

Posted: Fri Nov 22, 2013 9:58 am
by MCV
Hi,

I made two single point calculations on a same system, one with the LREAL = On tag and the other with LREAL =.TRUE., all other parameters unchanged. Although both OUTCAR files show LREAL = T, the two electronic energies are different by about 2 eV. Could you please comment on that ?

I'm using vasp.5.3.3.

Thanks.
MCV

Re: LREAL = On != LREAL = .TRUE.

Posted: Tue Sep 10, 2024 2:37 pm
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