[QE-users] Pseudopotential nomenclature: n vs nl
Pietro Davide Delugas
pdelugas at sissa.it
Thu Jul 2 14:23:42 CEST 2026
Hello
I don't know exactly; I guess the l stands for low (slightly lower accuracy but more efficient). In any case, in the ps library, all pseudos with the nl label belong to the low collection. The difference is in the inside 🙂 , one uses shorter cutoff radii and can use a smaller ecutrho.
Hope this helps
Pietro
[cid:331543f4-1ab2-424f-ae00-12e174c78926]
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of KRISHNENDU MUKHERJEE <krishnendu.nml at csir.res.in>
Sent: Thursday, July 2, 2026 13:39
To: users <users at lists.quantum-espresso.org>
Subject: [QE-users] Pseudopotential nomenclature: n vs nl
Hello,
Can you kindly let me know the diffternce between the pseudopotentials,
Al.pbe-n-rrkjus_psl.1.0.0.UPF<https://pseudopotentials.quantum-espresso.org/upf_files/Al.pbe-n-rrkjus_psl.1.0.0.UPF> vs. Al.pbe-nl-rrkjus_psl.1.0.0.UPF<https://pseudopotentials.quantum-espresso.org/upf_files/Al.pbe-nl-rrkjus_psl.1.0.0.UPF>
that is one has nl vs. the other one has n
Thank you,
Regards,
Krishnendu
--
Dr. Krishnendu Mukherjee,
Senior Principal Scientist,
CSIR-NML,
Jamshedpur.
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