[Pw_forum] phonons by LDA+U

[Henning Glawe]

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