[Pw_forum] LSDA+U bandstructure

[Ali Tavana]

Dear friends,

I have a question about LSDA+U calculations. I have done a LSDA+U and a LDA calculation for a system, but surprisingly there is no difference between bandstructures obtained within them. LSDA+U has found a nonmagnetic answer for my compound (my system is magnetic in fact), but I should see some differences between LDA and LSDA+U as the Hubbard U should separate spin-up and spin-down electron bands. Can one explain for me what is there going on?

Ali
Atomistic Modeling and Design of Materials,
University of Leoben, Austria