Hi, The steps to use the hybrid functionals (on-site and full) are explained in the user's guide.
On Thursday 2016-09-08 13:36, Bara abujafar wrote:
Date: Thu, 8 Sep 2016 13:36:28 From: Bara abujafar <m1abuja...@yahoo.com> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: "wien@zeus.theochem.tuwien.ac.at" <wien@zeus.theochem.tuwien.ac.at> Subject: [Wien] Hybrid functional Dear Wien2k developers and users, Hi! I want to do hybrid functional calculations but I couldn't make it. I have searched in the mailing list for a procedure to follow it as the mBJ procedure and I didn't succeeded yet. I would be thankful for any kind of help in showing me how to run the hybrid functional program. Actually, I am concerning in the energy band gap. I need to compare the energy band gap using hybrid functional potential with mBJ potential. Thanks a lot in advance. With best regards Mohammed Abujafar
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