Hi, Have you tried a denser k-mesh for the DOS? What is the value of the gap with the DOS?
FT On Monday 2018-03-19 08:58, hüsnü kara wrote:
Date: Mon, 19 Mar 2018 08:58:13 From: hüsnü kara <husnukar...@gmail.com> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Subject: [Wien] Band structure and Dos contradiction of an alloy Dear Peter Blaha and Fabien Tran, I study on an alloy, its bandstructure and dos are in contradiction. Bandstructure tells that it is metallic, dos tells that it is semiconducting. I sent your official e-mails bandstructure graphics, dos graphics, related struct file and converged SCF cycle result. Please, could you check these results? Best Regards, -- Hüsnü Kara
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