[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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