[Wien] Slab calculations

[koitzsch]

Hi Everybody,

I am trying to do a 6 layer slab calculation of Mg(0001) and I get energy
oscillations in the scf cycle. I already used a Rkmax of 10 and gmax of 14.
Does anybody have experience for these kind of calculations? What is the
crucial parameter to reach convergence? I have not optimized the positions,
but this should not play a role for convergence, right?

Thanks a lot

Mg MT sphere: 3
unit cell: 25 angstroem
vacuum thickness 12 angstroem