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?
spin-polarized calculation
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xlzou
spin-polarized calculation
Last edited by xlzou on Sun Sep 23, 2007 6:25 am, edited 1 time in total.
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support_vasp
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Re: spin-polarized calculation
Hi,
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