[Wien] How to get the experimental gap with mBj, PBE+U and EECE methods

[tran at theochem.tuwien.ac.at]

As I already wrote previously, 0.06 and 0.1 eV are very close to
each other such that it makes absolutely no sense to try to improve
further the agreement. Also, as mentioned by L. Marks, you need to
figure out if your procedure of searching for the method giving the
correct band gap is meaningful overall.


On Wednesday 2016-11-23 13:07, Abderrahmane Reggad wrote:

>Date: Wed, 23 Nov 2016 13:07:45
>From: Abderrahmane Reggad <jazairdz at gmail.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: Re: [Wien] How to get the experimental gap with mBj,
>    PBE+U and EECE methods
>
>Dear prof Tran
>I am sorry for the error of the gap value .
>
>The gap value that i want to reproduce is 0.1 ev .
>
>Thank you for your intersting
>
>--
>Mr: A.Reggad                                          
>Laboratoire de Génie Physique
>Université Ibn Khaldoun - Tiaret
>Algerie
>
>
>
>