On 22/04/2020 13:10, Lorenzo Paulatto wrote:
1). In any high symmetry, path let say Silicon Γ—X—U|K—Γ—L—W—X, what
is the meaning of U|K,
Hello, there is no standard for giving list of k-path points, you should
ask to who gave you the string to be sure. My guess is that you have two
paths: Γ—X—U and K—Γ—L—W—X
Hi all,
for ref - an effort to standardize k-point paths according to
crystallographic conventions has been made by Yoyo Hinuma and Giovanni
Pizzi and Isao Tanaka - you can find the paper at the link below, and
also a tool for Quantum ESPRESSO that gives you automatically the
standard k-point path. This is for 3D systems.
nicola
https://www.materialscloud.org/work/tools/seekpath
--
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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