[Wien] AFM calculation for NiO

[Ye Zhu]

Dear Lyudmila Dobysheva, 

Thank you so much for help. So it looks you did some calculation for
NiO with WIEN, right? Actually There is a strange problem when I did
LDA+U calculation for NiO. When I changed the value of U from 0.59 to
0.456 Ry(8 ev to 6 ev), there is only a very small difference in the
results of two calculations, which is inconsistent with the
literatures. Also the band gap is too small as compared to experimental
value. I used both afm supercell and fcc unit cell, with 1000 k-points
(110 inequivalent k-points), RKmax=7, Gmax=14, and LDA+U (SIC) method.
Is there any possible reason to make U an insensitive parameter? Thanks
a lot.

Best wishes,
Ye Zhu