On Wed, Apr 02, 2008 at 10:09:40AM +0000, Ezad Shojaee wrote: > I have performed an LDA+U calculation for my case, seems to be OK(with a > noticable improvement in the band gap). But when i tried to perform phonon > calculation, it converged to meaningless figures(containing a lot of minus > ones) that are not comparable to the LDA. The structure is relatively relaxed > due to the forces and stresses(that should be reasonable, as I have used > U_Progection_type=atomic) > Is there anything i should concern? > sorry for the basic question!
AFAIK there is no support for LDA+U in the phonon code. -- c u henning
