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.
Sincerely, Sincerely, Dr. Divya Srivastava Research Associate TSU, JNCASR Jakkur, Bangalore-64 Tel: +9122082834
