[Pw_forum] how to write the q-points in a uniform grid in the irreducible Brillouin Zone?

[Eyvaz Isaev]

Hi,

Use kpoints.x from /pwtools directory.

Bests,
Eyvaz. 

--- sun jason <jasonsun98 at hotmail.com> wrote:

> Dear all,
> 
> I want to calculate the phonon and the interatomic
> force constants of some 
> particular material, its bravais lattice is
> primitive orthorhombic.
> 
> follow example06, I should make a phonon calculation
> for a uniform grid of 
> q-points, such as 444 grid, but I don't know how to
> write these q-points 
> for orthorhombic lattice.
> 
> does anyone know how to write these q-points? not
> only for orthorhombic 
> lattice, but also for all the other bravais lattice.
> 
> any suggestions would be appreciated.
> 
> 
> jason sun
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 


__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com