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[marcel <marcel@physik.tu-berlin.de>]

Forget my last mail. I didn't specify
shiftk 0 0 0
when generating q-points. So the default 0.5 0.5 0.5 was used, and not 
commensurate with the k-grid that was generated as in the tutorial.

Regards
Marcel


On Mon, 18 Dec 2006, marcel@physik.TU-Berlin.DE wrote:

> I want to do phonon calculations with response function for the DDB,
> in a hexagonal structure (#186, hP, P6_3 mc).
> I generate the q-grid with a 4x4x3 monkhorst pack grid (non shifted).
>
> Is there an  elegant way to find the corresponding kgrid?
> The trivial solution 8x8x6 costs too much.
>
> Vice versa, for example,  I take a 6x6x4 kgrid shifted by 0 0 0.5.
> How can I find suitable q-points, that anadbb can interpolate?
> I guess it is ok, to find a grid in the irreducible part of the brillouin 
> zone.