Page 1 of 1

HSE calculation

Posted: Sun Sep 01, 2013 10:28 am
by ddoliufeng
I notice "It is strongly recommended to perform standard DFT calculations first, and to start HF type calculations from a preconverged WAVECAR file." in VASP manual.

However, if the result of HSE directly self-consistent calculation is different from "start HF type calculations from a preconverged WAVECAR file.", which result is reliable?

By the way, whether to "perform standard DFT calculations first," is just to save time in calculation?

Re: HSE calculation

Posted: Tue Sep 10, 2024 2:30 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