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

[tran at theochem.tuwien.ac.at]

I don't understand. In a previous email you mentioned an experimental
gap of 0.1 eV, and now you want to approach 1 eV. So, what is the
experimental value?

FT

On Wednesday 2016-11-23 12:40, Abderrahmane Reggad wrote:

>Date: Wed, 23 Nov 2016 12:40:55
>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
>
>To Prof Tran
>Since the unmodified version of Beck-Johnson allows me to get 0.06 ev which corresponds to the value of C parameter equal to the unity (01). I think that to increase of
>this value would improve the gap value to 1 ev.
>
>The question is: Which value for C parameter shall I use to get this gap value?
>
>Best regards
>
>--
>Mr: A.Reggad                                          
>Laboratoire de Génie Physique
>Université Ibn Khaldoun - Tiaret
>Algerie
>
>
>
>