[QE-users] Problem with DFPT using SCAN

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu May 16 22:36:41 CEST 2024


On 16/05/2024 21:39, Nupur Mehra wrote:

> I'm trying to perform a DFPT calculation using the SCAN functional. I 
> tried to do it using the QE version 6.4.1 first but I ran into the issue 
> about the phonon code with meta-GGA functionals not being available.

they aren't yet, and I doubt they are going to be available any time soon

> I was suggested to use another version of QE (5.1.1) to do this calculation.

bad advice

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
AVAILABLE POSITION: 
https://physicslab.uniud.it/persone/paolo-giannozzi/prin2022


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