The ABINIT Users Mailing List ( CLOSED )

[marc.torrent@cea.fr]

All HGH pseudopotentials (delivered with Abinit) should be usuable with 
spin-orbit...
You just have to put pspso, nspinor keywords in your input file...

Marc Torrent

maurosgroi@yahoo.it a écrit :
> Dear all,
> where can I find HGH pseudopotentials fit for GGA calculations with 
> spin-orbit interaction?
> I'm interested in heavy elements like Pb, Te, Se and so on.
> Thanks a lot and best regards,
> Mauro Sgroi.
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