[Pw_forum] pseudopotential for Fe and Se
Paolo Giannozzi
giannozz at democritos.it
Thu Mar 11 08:46:11 CET 2010
On Mar 10, 2010, at 16:11 , Gianluca Giovannetti wrote:
> i did some calculations using pseudopotentials: Fe.pbe-sp-
> van.UPF , Se.pbe-van.UPF.
> results are very similar to ones i can get with another dft code.
> are these pseudopotentials consistent in PW?
???
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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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