[Wien] U , J and effective U

[Yundi Quan]

I think U should stay the same because U is the interaction parameter. The
correction to the total DFT energy due to the on-site repulsion is U\sum
n_{m\sigma} n_{m'\sigma'}-double counting, if I remember it correctly. So
even if we use the same U for both spin channels, the spin-up electron and
spin-down electron would still be under different effective field, i.e. the
intraatomic correlation are different for different spins. This is my
understanding, which may be incorrect.



On Tue, Apr 28, 2015 at 12:09 PM, delamora <delamora at unam.mx> wrote:

>  Dear WIEN2k community,
>
>         I have a discussion with my Professor, John B Goodenough, and I
> would like to share with you.
>
>         Is the U or the effective U (U-J) the same for up and down spin?
>
>         We are working in ruthenates and in some cases they are half
> metals, so the mobility of the up and down spins is different so the
> intraatomic correlation should be also different.
>
>         Yours
>
>
>                  Pablo de la Mora
>
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