Dear Michal,
Just a small note: PSlibrary does contain the inputs for the creation of
norm-conserving pseudo potentials as well, they are just not created by
default; from 'make_ps':
# Uncomment the following line to generate the NC-PPs. Be very careful
# these PPs are completely untested.
#
#. ../nc_ps_collection.job
Greetings from Paris,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/
Ecole Normale Supérieure (ENS), Département de Chimie, Paris
Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935
On Thu, 6 Sep 2018, Michal Krompiec wrote:
Dear All,I'm trying to use a meta-GGA functional and I got this error:
Meta-GGA not implemented with USPP/PAW. Does it mean that
ultra-soft pseudopotentials or PAW cannot be used in conjunction with meta-GGA
in QE? It is a bit confusing as all pseudopotentials from
the PS library are USPP or PAW. Am I missing something?
Thanks in advance,
Michal Krompiec
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