[Wien] How to include the localized d orbitals in the atomic spheres?
Abderrahmane Reggad
jazairdz at gmail.com
Mon Nov 28 18:04:13 CET 2016
Sorry for my question
I realized that the energy cut off determine the valence and the core
states.
The question is now as follows:
Wen we use the maximum values for the Rmt such a way the spheres become
touched. Does that guarantee that the 3d electrons are all inside atomic
spheres?
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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