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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
