Huh?! This is not right.

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
Co-Editor, Acta Cryst A


On Nov 27, 2016 16:12, "Abderrahmane Reggad" <jazai...@gmail.com> wrote:

> Dear wien users
>
> The orbital potential in DFT+U and EECE for localized orbitals will be
> included only inside the atomic spheres .
>
> To include these localized orbitals, we need a value for energy cut off
> larger than -6 Ry (maybe -2 Ry ).
>
> Is it the only way to include the localized orbitals in the atomic spheres
> since we can't reduce the Rmt values much.
>
> Best regards
>
>
>
> --
> Mr: A.Reggad
> Laboratoire de GĂ©nie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
>
>
>
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to