[Pw_forum] band gap from hybrid pseudopotentials

[Lorenzo Paulatto]

any discrepancy would come from the choice of functional more than fro mthe
choice of pseudopotentials

hth

On 6 August 2016 at 23:41, MSaqlain <saqlain at bilkent.edu.tr> wrote:

> Dear Paulatto
>
> thanks for your response. What would say about this?
>
> If the the system is relaxed with paw/us peusodos, Is it fair enough to
> use NC pseudos with hybrid scheme for obtaining band gap? (performing
> scf on ptimized configuration with paw/us pseudo)
>
>
> On 08/07/2016 01:28 AM, Lorenzo Paulatto wrote:
> > Can you please trough some light on this issue? If the the system is
> > relaxed with paw/us peusodos, Is it fair enough to use NC pseudos with
> > hybrid scheme for obtaining band gap?
>
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-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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