[Wien] Hybrid funtional

Dear wien2k users; Are the full hybrid funtional sufficient for the treatment of highly correlated systems (use of full hybrid functional without the need to add the hubbard term). ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] LDA+U approach

Hi, The method used in Dudarev's paper is the rotationally invariant version of 1993 Anisimov's method. It corresponds to nsic=1 in case.inorb. FT On Saturday 2017-06-10 07:29, Bramhachari Khamari wrote: Date: Sat, 10 Jun 2017 07:29:07 From: Bramhachari Khamari