[QE-users] Pseudopotential nomenclature: n vs nl

[KRISHNENDU MUKHERJEE]

Thank you Pietro. I guess you mean one there is one more Kleinman-Bylander (KB) projector in the -n- pseudopotential.

Can you kindly give a little more description, so that it will be helpful for me as I am not having a Quantum Mechanics background..



Regards,

Krishnendu



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... plus one more KB projector for the 3D channel.

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From: users < https://lists.quantum-espresso.org/mailman/listinfo/users > on behalf of Pietro Davide Delugas < https://lists.quantum-espresso.org/mailman/listinfo/users >
Sent: Thursday, July 2, 2026 14:23
To: Quantum ESPRESSO users Forum < https://lists.quantum-espresso.org/mailman/listinfo/users >
Subject: Re: [QE-users] Pseudopotential nomenclature: n vs nl

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]

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From: users < https://lists.quantum-espresso.org/mailman/listinfo/users > on behalf of KRISHNENDU MUKHERJEE < https://lists.quantum-espresso.org/mailman/listinfo/users >
Sent: Thursday, July 2, 2026 13:39
To: users < https://lists.quantum-espresso.org/mailman/listinfo/users >
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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--



Dr. Krishnendu Mukherjee,



Senior Principal Scientist,

CSIR-NML,

Jamshedpur.
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