[Wien] PBEsol and PBE
Wien2k User
wien2k.user at gmail.com
Tue May 1 00:09:53 CEST 2018
Dear WIEN2k users;
I made an optimization of a magnetic compound with the two funtional
(GGA-PBE and PBEsol) while keeping the same input parameters (RMT, RKmax,
... etc).
Optimization with GGA-PBEsol gave me a antiferromagnetic behavior while
that of PBE gave me a ferromagnetic behavior.
I ask you to explain to me why this difference and which of the two
functional is right.
Thank you in advance.
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