[QE-users] Naming convention of PSlibrary pseudopotentials
Andrea Dal Corso
dalcorso at sissa.it
Wed Oct 7 16:43:58 CEST 2020
l is used in pslibrary to distinguish the PP with larger core radii.
It means lower accuracy.
Andrea
On Wed, 2020-10-07 at 13:45 +0000, 박민규 wrote:
> Dear all,
>
> I have a small question.
>
> For example Ga in PSlibrary table, there are two pseudopotentials
> that share almost identical name:
> Ga.rel-pbe-dn-kjpaw_psl.1.0.0.UPF
> Ga.rel-pbe-dnl-kjpaw_psl.1.0.0.UPF
>
> I understand the meaning of “d" and “n” based on the explanation of
> QE website.
> https://www.quantum-espresso.org/pseudopotentials/naming-convention
> But there is no explanation about “l”.
> So can anyone explain the meaning of “l” in the second
> pseudopotential?
>
> Best regards,
> ============================================
> Minkyu Park
> Research Institute of Basic Sciences, University of Ulsan,
> 93, Daehak-ro, Nam-gu, Ulsan, 44610 Republic of Korea
> minkyupark at ulsan.ac.kr<mailto:minkyupark at ulsan.ac.kr>
> +82-52-259-1473
> ============================================
>
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--
Andrea Dal Corso Tel. 0039-040-3787428
SISSA, Via Bonomea 265 Fax. 0039-040-3787249
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