[Wannier] Wannier90/VASP problems

[Mario Burbano]

Dear All,

I am currently working on Gd-Doped ceria using vasp (PBE+U/HSE) and using
Wannier90 as a library. So far, I've had good results with a similar system
(Y-doped Ceria) which I've compared against those from CPMD. However, now
that I am trying Gd-doped ceria I am getting some unexpected results: the
wannier centres that should be associated with Gd are localized around Ce.
I have checked the density of states from VASP, and everything seems ok. I
have also checked the wannier90.wout file and the spreads seem to be fine,
(between 2.5 and 3 Bohr^2, and there is a block of WFs with a smaller
spread between 1.6 and 2 Bohr^2, which I'm guessing correspond to the
f-electrons). This is a spin polarized calculation.

Thanks

Mario Burbano
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