[Pw_forum] NxNx1 k-grid for slab calculations?

[Henry J Seeley]

Dear Users,

I'm doing calculations to obtain the surface energy for a variety of 
different crystal surfaces, so I'm running both bulk and slab 
calculations of my systems.

I've been under the impression that I should be using k-grids of the 
type NxNx1 for slab calculations, according to what I've read in 
tutorials. But I've looked in the literature, and have found people 
using both NxNxN and NxNx1 k-grids for their calculations. Which should 
I be using? Is an NxNxN grid not always better?

Thank you for your time,
Hank Seeley
Chemistry PhD student
University of Oregon