[Pw_forum] PW86PBE

Adriana Cabrera R lacabrerar at unal.edu.co
Thu Aug 10 16:43:44 CEST 2017


Dear PW community,

I am beginner in Quantum Espresso and I want to reproduce an article that
uses the PW86PBE (GGA) exchange-correlation functional, however I could not
find it in the pseudopotentials library (
http://www.quantum-espresso.org/pseudopotentials/) nor generate it using
PSlibrary (ld1.x atomic code),
Is there any other repository of functionals or an alternative way to
generate it?
Thank you.

Adriana Cabrera
Universidad Nacional de Colombia
Colombia
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