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]> 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? > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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