[Wien] Help for applying Hubbard U correction

[pieper]

Dear Mamta,

did you successfully calculate the NiO example explained in the user 
guide?

If you want to apply the orbital potential U to more than two atoms, 
just follow the descriptions given in the reference section for the 
program ORB (section 7.2 in my version Wien2k_12). There you will find 
the line by line format of case.inorb (subsection 7.2.3), where you see 
that especially lines 1, 3ff and 5ff are the answer to this problem. 
Don't forget to adapt case.indm!

Good luck

Martin Pieper

Am 08.07.2013 08:53, schrieb Rocquefelte:
> 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> 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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