[Wien] LSDA+U calculation

[tran at theochem.tuwien.ac.at]

The complex calculation will be turned on automatically.

On Fri, 26 Aug 2011, Yundi Quan wrote:

>  Hi,
> When using LSDA+U(AMF), do I have to turn on spin-orbit interaction? On page
> 87 of the last userguid, it says that it is necessary to use LDA+U in
> combination with the spin-obital coupling. In addition, when doing LDA+U
> calculation for a system with inversion symmetry, is it necessary to turn on
> complex calculation?
> 
> Yundi
>