How to run a calculation with hybrid functionals using B3PW91?
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How to run a calculation with hybrid functionals using B3PW91?
Hi there, new to vasp and am currently trying to run a calculation of a system with hybrid functional using B3PW91.
Can anyone please enlighten me on how to set up the INCAR file.
Thank you
<span class='smallblacktext'>[ Edited ]</span>
Can anyone please enlighten me on how to set up the INCAR file.
Thank you
<span class='smallblacktext'>[ Edited ]</span>
Last edited by swen on Fri Feb 04, 2011 3:06 pm, edited 1 time in total.
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- Global Moderator
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Re: How to run a calculation with hybrid functionals using B3PW91?
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