[Wien] U & J values for Cobalt

[Dr. Sharat Chandra]

Dear Valerio
Thanks a lot.
Regards
Sharat

On Wed, 24 Nov 2004, Valerio Bellini wrote:

> Dear Sharat,
> 
> Check this reference,
> 
> M. M. Steiner, R. C. Albers, and L. J. Sham, Phys. Rev. B
> 45, 13 272 (1992).
> 
> >Also, if I get the U and J values for Co in some other configuration, can 
> >those values be used for my calculations?
> 
> I don't have a clear answer to that..
> there is experimental evidence that these parameters might change at the
> surface of a material, but anyhow it is not clear which method is the 
> best to calculate
> them, i.e. constrained DFT? or as integrals mediated screened via the 
> dielectric function?
> or maybe other.., so that in practice you might tune them a little to 
> your system.
> 
> Regards,
> Valerio