Spin-orbit coupling and valence electrons

Queries about input and output files, running specific calculations, etc.


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KGov
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Spin-orbit coupling and valence electrons

#1 Post by KGov » Thu Jul 10, 2014 3:34 pm

Can anyone help me with these questions:

1) Are PAW potentials fully relativistic i.e. for core electrons SOC is always included?
2) Is SOC included for valence electrons when LSORBIT = TRUE?

Thank you!
Last edited by KGov on Thu Jul 10, 2014 3:34 pm, edited 1 time in total.

support_vasp
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Re: Spin-orbit coupling and valence electrons

#2 Post by support_vasp » Thu Sep 12, 2024 9:04 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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