spgrep
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spglib
On-the-fly generator of space-group irreducible representations
See my following example: ```gap gap> SGGenSet227me; [ [ [ 0, -1, 0, 1/2 ], [ 0, 0, -1, 1/2 ], [ -1, 0, 0, 1/2 ], [ 0, 0,...
I noticed the following note in the source code: https://github.com/spglib/spgrep/blob/0ecee48f6eab9598a079ffa1ce58a47f73d0754d/src/spgrep/tensor.py#L88-L91 Can you give an example to illustrate this situation? How large a rank will trigger this problem, and is there...
Interface with DFT codes to calculate/analyze the irreducible representations of electronic states.
It's well known that one of the most important applications of group representation theory in quantum mechanics is the analysis of irreducible representation of wave function of the system under...
[Here](https://github.com/spglib/spgrep#usage) gives the following example: > ```python > from spgrep import get_spacegroup_irreps > from spgrep.representation import get_character > > # Rutile structure (https://materialsproject.org/materials/mp-2657/) > # P4_2/mnm (No. 136) > a...
In recent years, topological materials science is a great revolutionary progress in the field of materials science, which is closely related to group theory, in which, a typical representative emerging...
According to my understanding, the little group in nature is the site symmetry group in reciprocal space. On the other hand, the site symmetry group and the Wyckoff position has...
