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

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Sun Aug 9 13:34:25 CEST 2020


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
>
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GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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E-mail: <giuseppe.mattioli at ism.cnr.it>



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