[QE-users] Naming the pseudopotential - reg

Paolo Giannozzi p.giannozzi at gmail.com
Sun Jun 28 19:16:13 CEST 2020


The naming convention for pseudopotential files is here:
   https://www.quantum-espresso.org/pseudopotentials/naming-convention
but I don't know what the letter "l" stands for

Paolo

On Sun, Jun 28, 2020 at 6:12 PM singaravelan T R <trsingaravelan27 at gmail.com>
wrote:

> Respected sir/madam,
> I like to know how the pseudopotential files are named in Quantum
> espresso. ?
> For example: for the case of silicon we have two pseudopotentials in
> Quantum espresso repository.
> 1) Si.pbe-n-rrkjus.psl .1.00.upf
> 2) Si.pbe-nl-rrkjus.psl.1.00.upf
>
> What is the difference make by this n and nl in naming the pseudopotential
> files.
> With thanks,
> Singaravelan T R
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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