[Wien] Band structure and Dos contradiction of an alloy

[tran at theochem.tuwien.ac.at]

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 <husnukara34 at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at 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
>
>
>
>