[Pw_forum] Li pseudopotential
giannozz at democritos.it
Mon Nov 16 19:04:03 CET 2009
Elena Redondo wrote:
> I think that it is because the 2s orbital has a node before rc=1.00.
for sure it has a node. It has to be there.
> But, Yao et al say they used a cutoff radii of 1.0 for the 2s orbital.
> They also say that they generated it using the QE package.
they say they generated it "in a format suitable for QE", and this is
not the same as "generated using QE"
Paolo Giannozzi, Democritos and University of Udine, Italy
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