[Wien] The self-interaction-correction still exists for U=0
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Dec 16 19:23:03 CET 2016
Did you check out:
the Usersguide (and the references mentioned)
the "textbook" sites about LDA+U by P.Novak on wien2k.at
Am 16.12.2016 um 18:17 schrieb Abderrahmane Reggad:
> Hello again
>
> Now, to answer my question I need from the wien2k developpers to
> provide us the Hamiltonian of the LDA+U(SIC) introduced by Anisimov and
> implemented in the wien code.
>
> 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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
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