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
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lyon0100
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quick kpoints question
Last edited by lyon0100 on Fri Feb 18, 2011 2:53 am, edited 1 time in total.
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admin
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quick kpoints question
the k-mesh has to be 8 8 1
Last edited by admin on Thu Feb 24, 2011 2:29 pm, edited 1 time in total.