Dear all,
I am interested in calculating core-level shifts in the final state approximation using hybrids. Although it seems to work, I am a bit confused by the message in this 2011 thread, saying that "core level shifts are not implemented for the hybrid functionals (so far)".
As in the above thread, I get the same strange core levels when using PBE0 and the "ICORELEVEL = 1" option with Vasp-5.2.12. However, I would expect that since the hybrids are rightly implemented for ordinary ground state calculations, they would also be correctly implemented for "ICORELEVEL = 2" calculations. So is it correct that there is no problem for such "ICORELEVEL = 2" calculations?
This may be an obvious question, but I just want to make sure.
Many thanks!
Core-level shifts for the hybrid functionals
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mvdb
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Core-level shifts for the hybrid functionals
Last edited by mvdb on Tue Sep 10, 2013 3:57 pm, edited 1 time in total.
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support_vasp
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Re: Core-level shifts for the hybrid functionals
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