[Pw_forum] Generating VBC pseudo of Mg with ld1?
Paolo Giannozzi
giannozz at democritos.it
Wed Jun 25 10:20:28 CEST 2008
merlin meheut wrote:
> [...] I realized that a pseudopotential generated using
> Von-Barth Car scheme gave pretty good results in LDA [...]
> I would like to try a similar approach with PBE functional.
> [...] Apparently, on O-sesame webpage
there is no such thing as an "O-sesame webpage"
> it is mentioned that this possibility is "temporarily removed".
nothing is more permanent than "temporary" changes. It was
"temporarily removed" no less than 5 years ago. It isn't easy
to generate pseudotentials, the core correction is implemented
in a lousy way, and a simple analytical form for PP isn't any
longer as important as it used to be
> Is there a way to get old versions of ld1 code that do it?
try this (no warranty):
http://www.fisica.uniud.it/~giannozz/public/atom.tar.gz
Paolo
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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