[Pw_forum] about kpoints.x

[Guido Roma]

On Wed, 2006-02-01 at 20:18, Aritz Leonardo wrote:

> This is why I tried to compare the same grid obtained from an scf
> calculation and from the program kpoints.x
> 
> The thing is that the obtained kpoints are different so there is no way
> to compare weights.

Hello,

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. But, as Paolo says, 100% is not given
to us ...

Guido

-- 
Guido Roma <roma${at}cea.fr> -- CEA-Saclay - DEN/DMN/SRMP Bat.520/130
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