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spin-orbit coupling

Posted: Fri Feb 24, 2006 7:13 pm
by brsahu
Dear Vasp-users,

In the PAW implementation of spin-orbit coupling in VASP, does it take in to account the interstitial region(therefore the orbitals in the interstitial region) while calculating the L.S matrix element or the spin-orbit energy OR only the region upto RWIG specified in the PAW POTCAR file?

In other words, does the spin-orbit energy contain the contribution from the interstitial wave functions?

Sahu

Re: spin-orbit coupling

Posted: Wed Sep 11, 2024 1:27 pm
by support_vasp

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