[Wien] GGA+U and case. ineece

[tran at theochem.tuwien.ac.at]

No, for any method "+U", you don't need case.ineece.
case. ineece is only for hybrid functionals.


On Mon, 9 Jul 2012, ali ghafari wrote:

> Dear Prof. Tran
> Thank you very much for your replay.
> 
> what about mbj+U? should I use case.  ineece ?
> Best Regards
> Ali
> 
> 
> 
> ________________________________
>  From: "tran at theochem.tuwien.ac.at" <tran at theochem.tuwien.ac.at>
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
> Sent: Monday, July 9, 2012 9:10 AM
> Subject: Re: [Wien] GGA+U and case. ineece
>  
> case. ineece is only for hybrid functionals. For GGA+U you need
> case.indm and case.inorb.
> 
> On Sun, 8 Jul 2012, ali ghafari wrote:
> 
> > Dear Prof. Blaha and users
> > 
> > 
> > Is it necessary to use 'case. ineece' in all functionals in the GGA+U method, or it should be used only for Hybrid functional in the GGA+U method?
> > Best Regards
> > Ali
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