[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
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it



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