See manual section 7.3 pages 110-111
and section 13 References page 225 ff. , to learn and understand the method
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
Von: Wien [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 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: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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