[Pw_forum] Pseudopotential Radius for K

Paolo Giannozzi p.giannozzi at gmail.com
Wed Jan 10 18:40:28 CET 2018


On Tue, Jan 9, 2018 at 9:37 PM, Lance Kavalsky <
lance.kavalsky at mail.utoronto.ca> wrote:

>
> When reading through the file, I see that in the Nonlocal section, cutoff
> radii are provided for each of the angular momenta (except for the
> s-orbitals), but what units are these in?
>

presumably, atomic units: 1 a.u.=0.529177 A

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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