quick kpoints question
Posted: Fri Feb 18, 2011 2:53 am
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
Automatic mesh
0
Gamma
8 8 1
or should it be
Automatic mesh
0
Gamma
8 8 0
Thanks