[QE-users] recommended methods for slab calculations

[Michal Krompiec]

Hello,
I was wondering which assume_isolated method is the preferred choice
for calculation of adsorption energies of small molecules on 2D slabs
of metals and oxides.
So far, I've been using assume_isolated='2d', but it requires an
enormous vacuum padding. Is esm less resource-hungry? Does anyone use
a less accurate scheme first (e.g. no "assume_isolated" and a small
vacuum padding) and moves later to the target large cell with
assume_isolated=2d?
I understand that it all depends on the system, and that a convergence
test has to be done anyway, but I would be grateful for any tips.

Thanks,
Michal Krompiec
Merck KGaA