[QE-users] NC pseudo for Pb with spin-orbit

José Carlos Conesa Cegarra jcconesa at icp.csic.es
Sun Aug 9 14:10:51 CEST 2020


Many thanks, Giuseppe. In fact I have downloaded the complete 
sg15_oncv_upf_2020-02-06.tar.gz file, as I might need other pseudos with 
spin-orbit

José C. Conesa

El 09/08/2020 a las 13:34, Giuseppe Mattioli escribió:
>
> Dear José
> You may try here, FR stands for "fully relativistic"
>
> http://www.quantum-simulation.org/potentials/sg15_oncv/upf/
>
> HTH
> Giuseppe
>
> Quoting José Carlos Conesa Cegarra <jcconesa at icp.csic.es>:
>
>> Hi all,
>>
>> Could anyone provide a norm-conserving pseudopotential for Pb which 
>> has been computed including spinorbit coupling?
>>
>> -- 
>> José C. Conesa
>> Research Professor
>> Instituto de Catálisis y Petroleoquímica, CSIC
>> Marie Curie, 2; Campus de Cantoblanco
>> 28028 Madrid (Spain)
>> Telef. +34 915854766
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX 
>> (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> GIUSEPPE MATTIOLI
> CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
> Via Salaria Km 29,300 - C.P. 10
> I-00015 - Monterotondo Scalo (RM)
> Mob (*preferred*) +39 373 7305625
> Tel + 39 06 90672342 - Fax +39 06 90672316
> E-mail: <giuseppe.mattioli at ism.cnr.it>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Telef. +34 915854766



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