Re: [Spglib-users] Irreducible k points from custom k mesh
Brought to you by:
atztogo
From: Atsushi T. <atz...@gm...> - 2021-06-20 08:42:22
|
Hi, No. It's not possible. But it is trivial to implement. Togo On Sun, Jun 20, 2021 at 4:13 PM cheng shao <sha...@gm...> wrote: > > Dear Prof. Togo, > > I am a new user of the spglib, and thanks for your efforts in developing and maintain it. > > I have a quick question: is it possible to find the irreducible k points from the custom-defined k mesh? > > Say I have a uniform k mesh points (in a different order as the auto-generated one from spglib), > Is it possible to identify the irreducible k points and the weight factor from it. > > In the example, there is a function `grid = get_ir_reciprocal_mesh(mesh, cell, is_shift=[0, 0, 0])`, > can we replace the integer number mesh to a vector of k points? > > Best, > Cheng > ---- > Dr. Cheng Shao > Post-Doctoral Researcher > Dept. of Mechanical Engineering > The University of Tokyo > > > > _______________________________________________ > Spglib-users mailing list > Spg...@li... > https://lists.sourceforge.net/lists/listinfo/spglib-users -- Atsushi Togo |