[QE-users] Adsorbate: k-points and smearing

[Michal Krompiec]

Hello,
I’m calculating adsorption energies of organic molecules on metal surfaces.
Should I use the same k-point mesh and smearing for the adsorbate as for
the slab calculations (bare metal surface and metal+adsorbate)? Or rather
just gamma point and no smearing because it is the only sensible choice for
a closed-shell molecule?
Thanks,
Michal Krompiec
Merck KGaA
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