[Pw_forum] generating k point weights

xirainbow nkxirainbow at gmail.com
Mon Aug 10 16:41:39 CEST 2009


Dear Gabriele Sclauzero:

>Just one additional note of caution: kpoints.x reduces the number of
k-points (and compute
>weights) according to the symmetry of the bravais lattice only, while the
subroutine
>kpoint_grid in PW/ used by pw.x takes into account the crystal symmetry
(which can be
>lower than the lattice symmetry if you have more than one atom per cell or
non-collinear
>magnetism)

I am confused with your statement:"crystal symmetry can be lower than the
lattice symmetry if you have more than one atom per cell".
Could you explain it more clearly?
Or could you give me a simple example?
Thank you :)

____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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