[Wien] Hybrid functional

Bara abujafar m1abujafar at yahoo.com
Thu Sep 8 13:36:28 CEST 2016


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 regardsMohammed Abujafar
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