[Pw_forum] nk1,nk2,nk3 selection rule for HCP
divyasrivastava at jncasr.ac.in
Thu May 3 13:28:41 CEST 2012
Dear QE Developers/Users
I have used K_POINTS (automatic) 18 18 18 0 0 0 for HCP (hexagonal close packed) lattice in scf calculation. My lattice parameters are a= 4.0 a. u. and c/a = 1.59. I would like to know whether I can use nk1=nk2=nk3 for the HCP lattice or not. If not what is the criteria for choosing them in case of non cubic (HCP) lattices.
Dr. Divya Srivastava
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