[Pw_forum] nk1,nk2,nk3 selection rule for HCP

[Divya Srivastava]

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