DFT conbination with DFT+U

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ccccc
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DFT conbination with DFT+U

#1 Post by ccccc » Wed Jan 21, 2015 10:08 am

Dear All,
I am trying to simulate an AB2 molecule growth on a substrate of A.
A is metal but AB2 is semiconductor with f electrons.
I used to use DFT+U for AB2 and DFT for A substate.
To simulate AB2 growth on A, which method should i use?

Thanks

support_vasp
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Re: DFT conbination with DFT+U

#2 Post by support_vasp » Thu Sep 12, 2024 7:45 am

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.

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VASP


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