[Pw_forum] Pseudopotentials with negative "Max angular momentum component"?

Paolo Giannozzi giannozz at democritos.it
Wed Jul 29 22:55:48 CEST 2009


On Jul 29, 2009, at 20:32 , J. J. Ramsey wrote:

> I noticed that some of the pseudopotentials on the QE website
> [...] have "-1" as the value of the max. angular momentum
> component in the PP_HEADER section. It's unclear [...]
> what this is supposed to mean.

local pseudopotentials, i.e. no nonlocal part. Lmax = 0 means
s local part

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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