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
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byhill
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non-relativistically generated PAW
Last edited by byhill on Sat Jun 16, 2012 8:21 pm, edited 1 time in total.
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admin
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non-relativistically generated PAW
No, available are only scalar-relativistic pseudopotentials.
Last edited by admin on Tue Jun 19, 2012 2:30 pm, edited 1 time in total.