Re: [Wien] How to use LDA+U

http://prb.aps.org/abstract/PRB/v71/i3/e035105 http://prb.aps.org/abstract/PRB/v79/i3/e035103 On Tue, 2 Jul 2013, Yasir Ali wrote:  Hi. I need to know how to use LDA+U method for exchange and correlation and when it is suitable to use? Regards: Yasir

[Wien] WIEN2k and STANDARD bravais matrix of monoclinic

Dear Prof. Blaha, What is difference between WIEN2k and STANDARD bravais matrix of monoclinic compounds? How can i convert WIEN2k  to STANDARDbravais matrix for monoclinic compounds? Sincerely, Mahdi___ Wien mailing list