[QE-users] Type of pseudopotential that supports scan

Giuseppe Mattioli giuseppe.mattioli at ism.cnr.it
Fri Oct 5 21:47:04 CEST 2018


Dear N. (please sign always your posts to this forum with name and  
scientific affiliation).
You missed the last (and for the time being only correct) choice.  
Meta-GGA works only with norm-conserving pseudopotentials.
HTH
Giuseppe


Nnanna Ukoji <nukoji at aust.edu.ng> ha scritto:

> Dear all,
> Please does anyone know the pseudopotentials that support SCAN (I have
> tried Ultrasoft and PAW they didn't work). I'm using the qe-6.3 version and
> I have linked Libxc to my qe but don't know a supporting PP.
> Best regards,
> N.



GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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