[Spglib-users] Irreducible k points from custom k mesh
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From: cheng s. <sha...@gm...> - 2021-06-20 07:13:23
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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 |