[QE-users] Van der Waals with LDA functional

JAY Antoine Antoine.JAY at isae-supaero.fr
Fri Sep 7 07:39:47 CEST 2018


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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