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non-relativistically generated PAW

Posted: Sat Jun 16, 2012 8:21 pm
by byhill
Dear admin and users,

Now, I am doing a calculation using "PAW_PBE Au 06SEP2000". As I know, all PAW potentials were generated relativistically. Is it possible to get non-relativistically generated PAW for gold?

With best wishes,

JJ

non-relativistically generated PAW

Posted: Tue Jun 19, 2012 2:30 pm
by admin
No, available are only scalar-relativistic pseudopotentials.