[Wien] How to set the d orbitals to do calculation with LDA+U

Abed Reg jazairdz at gmail.com
Sat Dec 27 16:39:21 CET 2014


Dear wien2k users

I'm doing a calculation of transition-metal material NiO with the LDA+U
methode and I want to know how to set the correlated states (d orbitals) .

I will be very grateful

-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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