[Pw_forum] atomic layers

Safa Alzaim safa.alzaim at gmail.com
Sat Oct 31 03:35:38 CET 2015


Dear All,

In quantum espresso, how do we define X number of atomic layers, for
example, for a surface vs a bulk calculation? In our System and Atomic
Positions block, the unit cell is the same for various thicknesses of
material, so how do we set the calculation differently for a surface rather
than bulk?

Thanks!

Safa Alzaim
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