[Pw_forum] band gap from hybrid pseudopotentials

[MSaqlain]

Dear Prof. Paulatto

Thanks for your response.


On 08/07/2016 04:34 PM, Lorenzo Paulatto wrote:
> 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 
> <mailto: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/ 
> <http://www-int.impmc.upmc.fr/%7Epaulatto/>
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
>
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