[QE-users] Enabling van der Waal interaction

Yuvam Bhateja yuvamb16 at gmail.com
Mon Aug 17 10:34:50 CEST 2020


Dear experts,

Hope you are doing well.

I want to enable van der Waal interaction with my heterogeneous system
having Cr2O3 and graphene stacked.
The interaction between the layers is week van der Waal interaction but it
wasn't mentioned what type of van der Waal in previous publications.
My question is which XC correlation and type of pseudopotential will be
best or at least better for which type of van der Waal forces?

Thank you in advance.

Regards
Yuvam Bhateja
B.Tech.
E&Tc
IIEST Shibpur
India
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