[Wien] How to include the localized d orbitals in the atomic spheres?
Abderrahmane Reggad
jazairdz at gmail.com
Wed Nov 30 17:07:01 CET 2016
Thank you Dr pieper again for the clarification
Now, It's clear for me
Another question is as follows:
How to consider electrons (for example d electrons ) as localized or
itinerant or half half or it's considered within the calculation?
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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