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quick kpoints question

Posted: Fri Feb 18, 2011 2:53 am
by lyon0100
when writing the KPOINTS file for a 2D hexagonal lattice, does it matter what the subdivisions are in the z direction (if I seperate the 2D planes by 10-20 angstroms)? would an appropriate kpoints file for relaxation be:

Automatic mesh
0
Gamma
8 8 1

or should it be

Automatic mesh
0
Gamma
8 8 0


Thanks

quick kpoints question

Posted: Thu Feb 24, 2011 2:29 pm
by admin
the k-mesh has to be 8 8 1