[Wien] Hybrid functional

[tran at theochem.tuwien.ac.at]

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 <m1abujafar at yahoo.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: "wien at zeus.theochem.tuwien.ac.at" <wien at 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
>
>