Thank you Fecher for your answer
I think the both formalisms are not implemented in the wien2k package
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
_
[wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Abderrahmane
Reggad [jazai...@gmail.com]
Gesendet: Montag, 12. Dezember 2016 12:30
An: wien@zeus.theochem.tuwien.ac.at
Betreff: [Wien] Which formalism is adopted in the DFT+U method
Dear wien users
We know all that there are two formalism for the DFT+U me
Dear wien users
We know all that there are two formalism for the DFT+U method : the Dudarev
and the Liechtenstein formalisms.
I want to know is adopted in the wien2k code for the DFT+U method.
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse:
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