[Wien] PBEsol and PBE

[Lyudmila Dobysheva]

> 1 Apr 2018, 2:10 +04:00 от Wien2k User <wien2k.user at gmail.com>:
> 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.

Maybe you have found two minimums (?). Try to start from the found solutions and continue with the other functional: the AFM in PBE and the FM in PBEsol. I think that in both functional you'll obtain two solutions and will be able to compare. 

Best wishes,
Lyudmila Dobysheva

Phys-Techn.Inst.
Udmurt Feder Research Center