How to find the efficient high symmetric k path for electronic band structure calculation of mono layers? How it (path) is different that for the bulk structure?
The choice of an "efficient" path for the electronic band structure calculation is subjective and depends on the specific objectives of your study. However, the path should be continuous to ensure accurate and meaningful results. Additionally, the inclusion of the Γ point, which represents the center of the Brillouin zone, is commonly favored in the path selection process. Beyond these considerations, the specific selection of points along the path will depend on your research interests and what you aim to investigate.
I suggest you to refer to the first answer provided in a similar question that appeared on Matter Modeling in this link:
https://mattermodeling.stackexchange.com/questions/6356/how-to-generate-the-high-symmetry-paths-for-band-structure-calculations/6362#6362
Moreover, there are just a few lattices in 2D so the choice of the k-path is usually simpler than in 3D. The “standard” path, is \Gamma (the centre of the Brillouin zone), the middle point of an edge, a vertex and back to \Gamma. You might decide to add extra point is the lattice is not symmetric in x and y.
The use of a dedicated software appears a bit overshooting due to the simplicity of the task.
Regards,
Roberto
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