[Wien] Regarding DFT+U Results

[Paresh Chandra Rout]

Yes, I intentionally put the U=0 to print the occupations .

On Wed, Feb 24, 2016 at 7:38 PM, Elias Assmann <elias.assmann at gmail.com>
wrote:

> On 02/24/2016 02:58 PM, Paresh Chandra Rout wrote:
> > I have done it correctly or not. Any help would be highly
> > appreciated . Here I am attaching the following files case.inorb,
> > case.indm,case.outputorbup,case.outputorbdn.
>
> You explicitly put a U of 0 on atoms 6 and 7.  Is that intentional?
>
> Other than that, it will take more of an expert than me to find
> something in these files …
>
>
>         Elias
>
> --
> Elias Assmann
> Institute of Theoretical and Computational Physics
> TU Graz                   ⟨https://itp.tugraz.at/⟩
>
>
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