Surface Energy Calculation input files

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INCAR file for relaxation

LWAVE = .FALSE.
LCHARG = .FALSE.
LREAL = Auto
ISMEAR = -5
ENCUT = 240.3
EDIFF = 1e-6
NSW=100
ISIF=2
IBRION=2


KPOINTS

Automatic mesh
0              ! number of k-points = 0 ->automatic generation scheme 
Monkhorst-Pack ! Use Monkhorst-Pack scheme
4  1  4      ! only need one k-point in the direction perpendicular to stacking fault
0. 0. 0.       ! optional shift of the mesh 
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