[Pw_forum] K POINTS

[Paolo Giannozzi]

On Sep 1, 2011, at 8:42 , mayank gupta wrote:

> I got 176 k points while using the kpoint.x utility i found it  
> generates
> only 120 k points for simple cubic structure. did i make any mistake?

kpoint.x yields k-points in the Irreducible Brillouin Zone (IBZ) of  
the lattice.
pw.x yields k-points in the IBZ of the crystal (unless otherwise  
specified).
If the crystal has a lower symmetry than the lattice alone, it may  
have a
larger IBZ and a larger number of inequivalent k-ponts

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222