[QE-users] Phonon calculations using SCAN functionals

Paolo Giannozzi p.giannozzi at gmail.com
Sun Nov 8 21:35:41 CET 2020


On Sun, Nov 8, 2020 at 5:12 PM p ul <pierfrancescoulpiani at gmail.com> wrote:


> Then the ph calculation didn't work because 'The phonon code with meta-GGA
> functionals is not yet available'
>

this is the correct behavior: SCAN is a meta-GGA functional

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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