[QE-users] Pseudo potential

tanmay chaki tanmaychaki at gmail.com
Fri Aug 28 19:46:33 CEST 2020


Thanks for your suggestions

On Fri, 28 Aug, 2020, 10:43 pm Yuvam Bhateja, <yuvamb16 at gmail.com> wrote:

> 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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