[QE-users] Vacuum-slab-vacuum (open boundary conditions)

Ola Starkolis qmpotential at gmail.com
Sat Nov 6 16:37:55 CET 2021


What does this mean "open boundary conditions", it is not clear!
I would like to run metal/organic/vacuum and using

 assume_isolated = "esm"
      esm_bc          = "bc1"

I suppose that the system is periodic in x and y directions and
non-periodic in z. Is it right?

Thank you so much for your help in advance.
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