[Pw_forum] K_POINTS automatic

[Paolo Giannozzi]

On Mon, 2012-12-03 at 11:44 +0330, zahra vatankhah wrote:

> for example what is the difference between:
> K_POINTS automatic
> 20 20 1  1 1 1
> and 
> K_POINTS automatic
> 20 20 1  0 0 0

k-point grids shifted (1) or not shifted (1) along the three lattice
directions. Unless you have some reason to prefer an unshifted grid
(that contains 0), it is usually slightly more convenient to use 
shifted grids

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy