LOCPOT, nonlocal part

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alpha

LOCPOT, nonlocal part

#1 Post by alpha » Sun May 03, 2015 11:55 pm

Hi, I have a question regarding the total local potential: Does LOCPOT contain the total (Hartree+ionic+xc) sc local pseudo potential or is it an actual potential? My understanding is that in order to obtain a physically meaningful potential nonlocal contributions would need to be added (which cannot be simply added due to their operator nature). Is that correct? Is there a way to estimate the strength of nonlocal contributions from VASP output? Or are these nonlocal contributions typically very small compared to the local part?

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Re: LOCPOT, nonlocal part

#2 Post by support_vasp » Tue Feb 18, 2025 12:51 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.

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