subject:"Re\: \[Wien\] Which formalism is adopted in the DFT\+U method"

Re: [Wien] Which formalism is adopted in the DFT+U method

2016-12-14 Thread Abderrahmane Reggad

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 _

Re: [Wien] Which formalism is adopted in the DFT+U method

2016-12-12 Thread Fecher, Gerhard

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."