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Spin-scaling factor for the LDA correlation part

Posted: Sun Jun 13, 2010 9:32 am
by forsdan
Dear colleagues,

The LDA correlation part is stated to be given by the Ceperley-Alder QMC results as parametrized by Perdew and Zunger 1981 (PZ81). I can't however find information about the spin-scaling factor.

So a short technical question:

In the PZ81 article the von Barth-Hedin interpolation formula is used. Is this scheme also adopted in VASP? I am referring to the standard LDA functional and not PW91 with VOSKOWN = 1, or PBE where the Vosko-Wilk-Nusair interpolation formula is used.

Best regards,
/Dan




<span class='smallblacktext'>[ Edited ]</span>

Re: Spin-scaling factor for the LDA correlation part

Posted: Tue Sep 10, 2024 9:40 am
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.

Best wishes,

VASP