[Wien] LDA+U changed between the versions?

[mazin]

I agree. Unfortunately, the opposite is not necessarily true - LDA+U may 
converge well, and still be unphysical.

On 8/3/2010 11:36 AM, Laurence Marks wrote:
> One important addendum. If LDA+U is unphysical, it may not converge
> and nothing you do will make it! I ran into something like this some
> time ago when I tried PBE0 for a Ni surface.
>
> Unless you run into a (rare) bug in Wien2k, failure to converge or
> poor convergence is an indicator that the physics has been posed
> wrong.