[Pw_forum] Convert fhi pseudo potential to upf

Paolo Giannozzi giannozz at democritos.it
Fri Jun 1 11:57:29 CEST 2012


On Thu, 2012-05-31 at 23:03 -0400, James Mao wrote:

> for 06-C.LDA.fhi pp, the l max is 3. Inside there are
> 4 wavefunctions which I think supposed to be l=0,1,2,and 3. 
> But for l=3, it will be a "f" orbital. 4f orbital for C atom? 
> I don't think my guess is correct. 

I think it is 

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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