Re: [Spglib-users] How to check if two k-points is equivalent

[Atsushi T. <atz...@gm...>]

Hi,

Let k1 = (x, y, z), k' = (x', y', z') in reduced coordinates. You can
check if the following is true:

abs((x - x') mod 1) < epsilon and abs((y - y') mod 1) < epsilon and
abs((z - z') mod 1) < epsilon

epsilon is a positive small number. This is dependent on the
implementation of mod function. I suppose mod gives the number closest
to 0.

Togo

On Thu, Jun 2, 2016 at 7:42 PM, Hongliang Yang <hly...@gm...> wrote:
> Dear users and devlopers:
>
> How to check if two k-points is equivalent? For example, one k-point is
> outside the FBZ and the other is in FBZ.
>
> Best wishes.
>
> Yang
>
>
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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...