[QE-users] surface energy calculations

Malathe Khalil malathe.zero1 at gmail.com
Sun May 24 14:36:27 CEST 2020


Greetings
I would like to calculate the surface energy for slabs
I am following the attached paper for the surface energy formula
What does it mean by " n is the number of the bulk MoP unit in this slab" ?
do they mean the number of layers or the number of atoms in the slab ?

Thanks
Malathe
Khalifa University
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