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 <[email protected]
<mailto:[email protected]>> 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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