[Pw_forum] Hubbard for oxygen

[Youssef]

Dear Giuseppe,

Thank you very much for your help, I was really stuck.

I have another question about the linear response approach, in fact I
successfully got the liner behavior of alpha=f(dn) and alpha=f(dn0) on
conventional cell, with a very good value of U with respect to the
literature, now when I move to supercell (2x2x2) the linearity is
broken !!!

Any idea about this issue?

P.S: The convergence criterion's are well tested in addition to cell and
atomic positions are relaxed