[Wien] Help for applying Hubbard U correction

Rocquefelte xavier.rocquefelte at cnrs-imn.fr
Mon Jul 8 08:53:44 CEST 2013


Could you clarify your question?
One possibility could be to give an explicit example.
Without details you will certainly have no "helpfull" replies from the 
wien-list.

Best Regards

Xavier


Le 7/6/2013 7:22 AM, Mamta Chauhan a écrit :
> Dear Dr. Pieper,
>
> Thanks for your kind reply. I am a beginner for this type of work. so 
> I need some details to know about how to apply this correction to more 
> than two atoms.
>
> Thanks and Regards
> Mamta
>
>
> On Fri, Jul 5, 2013 at 2:13 PM, pieper <pieper at ifp.tuwien.ac.at 
> <mailto:pieper at ifp.tuwien.ac.at>> wrote:
>
>     Dear Mamta,
>
>     without being an expert myself I would STRONGLY suggest to read
>     the userguide AND work through the examples given there! Also
>     consider the additional separate guides from Pavel Novak on the
>     topic and/or publications refrenced there. From there you will be
>     able to ask more specific questions.
>
>     Regards,
>
>     Martin Pieper
>
>     Am 04.07.2013 14:52, schrieb Mamta Chauhan:
>
>         Dear Wien2k users,
>
>         I want to apply hubbard U correction in my calculations.
>         Please help
>         me and suggest me to apply hubbard u correction.
>
>         Thanks and regards,
>         mamta
>
>
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