[Wien] k-point meshes

[yan song]

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

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