[QE-users] Van der Waals with LDA functional

[Stefano Baroni]

NO — SB

> On 7 Sep 2018, at 07:39, JAY Antoine <Antoine.JAY at isae-supaero.fr> wrote:
> 
> Dear community,
> Is it possible to know if I need to take Van der Waals interactions into account by only looking at the scf output done with LDA functional?
> If no, what is the fastest way to know if I need them?
> My system is implantation of Sb in silicon.
> 
> Thank you very much,
> 
> Regards,
> 
> Antoine Jay _______________________________________________
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> users at lists.quantum-espresso.org
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— 
Stefano Baroni - Trieste —  http://stefano.baroni.me <http://stefano.baroni.me/> 




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