[Pw_forum] documentations or references of (UPF) PAW potentials

Andrea Dal Corso dalcorso at sissa.it
Mon Oct 3 11:58:15 CEST 2016


Relativistic PAW PPs are described here:
Phys. Rev. B 82, 075116 (2010).
Some examples are in:
Phys. Rev. B 86, 085135 (2012)

Relativistic US PPs are described here:
Phys. Rev. B 71, 115106 (2005). 

Andrea

On Mon, 2016-10-03 at 10:41 +0200, Ryky Nelson wrote:
> Dear all,
> 
> I was wondering if any of you could direct me to any (detailed)
> documentations of or references to (UPF) PAW potentials used in Quantum
> Espresso, especially for the relativistic (spin-orbit) cases.
> 
> Thank you!
> 
> Best,
> Ryky
> 
> 
> 
> --------------------------------------------
> Ryky Nelson
> Institut für Anorganische Chemie
> RWTH Aachen University
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Andrea Dal Corso                    Tel. 0039-040-3787428
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