[Wien] k-point meshes

[Hua Wu]

I-4 is body-centered tetragonal, so that the primitive
unit cell has three equal-length lattice vector.
regards -- H. Wu
On Tuesday 11 April 2006 18:02, yan song wrote:
> Dear All,
>
>
>
> I am calculating a system with tetragonal symmetry (I-4, group
> No. 82). The lattice parameters are 5.037 and 10.278 A,
> respectively. When I run the 'init', the k-point mesh was
> automatically determined as a cubic case by the code
> regardless the actual k-points I inputted. For example,
> inputting the k-points as 10, 50, 100, and 120, the code
> determined k-meshes are 2x2x2, 3x3x3, 4x4x4, and 4x4x4,
> respectively.
>
>
>
> My question is why for the tetragonal unit cell, the k-point
> mesh was determined as a cubic unit cell?
>
>
>
>
>
> Thank you for your attention.
>
>
>
> Best wishes
>
>
>
> Dr Y Song
>
> Department of Materials
>
> Queen Mary, University of London
>
> Mile End Road, London E1 4NS
>
> UK

-- 
Dr. Hua WU

II. Physikalisches Institut
der Uni. zu Koeln,
Zuelpicher Str. 77,
D-50937 Koeln
Germany

Email: wu at ph2.uni-koeln.de
Tel: +49-221-4703599
Fax: +49-221-4705178