[Wien] GGA+U and case. ineece

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Mon Jul 9 09:10:03 CEST 2012


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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