[QE-users] Pseudo potential

Yuvam Bhateja yuvamb16 at gmail.com
Fri Aug 28 19:13:21 CEST 2020


Hey,

As per my knowledge, there's no specific pseudopotential for spin
calculation.

You need to use commands like nspin and starting_magnetization in order to
start your spin calculation.

Your choice of XC Functional can affect the results in your spin
calculation.

Let me know if it helps.

Regards
Yuvam Bhateja

On Fri, 28 Aug 2020, 10:38 pm tanmay chaki, <tanmaychaki at gmail.com> wrote:

> Hello QE users,
> Is there any specific Pseudo potential for spin polarized calculation?
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