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spin-polarized calculation

Posted: Sun Sep 23, 2007 6:25 am
by xlzou
hi, all

In a spin-polarized calulation, we set ISPIN=2. This means we choose the LSDA (local spin density approximation) to XC energy. However, the pseudopotentials in VASP is non spin-polarized!!! Am I right? How does VASP settle this problem down?

Re: spin-polarized calculation

Posted: Wed Sep 11, 2024 1:38 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.

Best wishes,

VASP