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Posted: **Wed Apr 02, 2008 1:25 pm**

Hi all,
I wonder wheter we can do a geomerry optimization using LDA+U. Are the forces calculated by LDA+U correct? Are any differences with and without U? I have my doubts about relaxing in this way when using vasp. Thanks in advance!

Posted: **Wed Sep 11, 2024 2:03 pm**

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

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Geometry Optimization with LDA+U?

Geometry Optimization with LDA+U?

Re: Geometry Optimization with LDA+U?