Re: [Wien] The self-interaction-correction still exists for U=0

Dear A. Reggad Me and all other people are obviously waiting for a clear question, just "Why ?" is NOT a question someone is able to answer ! When I perform a GGA+U calculation on Fe with -orb and U and J set to Zero then the result (magnetic moment, energy, etc.) is the same (within the

Re: [Wien] The self-interaction-correction still exists for U=0

Hello again I am wainting for an answer for my last question and I think Mr Novak is the most qualified to do that since he's whose implemented the approach LDA+U in the wien2k code. -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Adresse: BP 144 AL ATTAF AIN