Spin-scaling factor for the LDA correlation part
Posted: Sun Jun 13, 2010 9:32 am
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>
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>