[Pw_forum] about kpoints.x

[Paolo Giannozzi]

On Thursday 02 February 2006 10:13, Guido Roma wrote:

> > The thing is that the obtained kpoints are different so there
> > is no way to compare weights.

> could you please post the two meshes?
> I think I recognise in kpoints.f (at least for the main structure) a
> small program that I wrote several years ago for the hexagonal lattice
> (and then extended to other lattices) using pwscf modules (latgen,
> recips, cubicsym, hexsym). So I would be suprised if that bravais
> lattice, in particular, was buggy. 

I agree. K-points produced by kpoints.f should be the same, or
an equivalent set, of those produced by the pw.x code.

P.

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy