[Wien] How to include the localized d orbitals in the atomic spheres?

Abderrahmane Reggad jazairdz at gmail.com
Mon Nov 28 23:21:51 CET 2016


Thank you Prof Cottenier for your answer

My question is made according to the following statement:

" The DFT+U and EECE are applied only inside atomic spheres "

What does it mean that and how to realize it ?

Best regards
-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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