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goodluck1982
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SpaceGroupIrep
A mathematica package for irreducible representations of space group
GNU General Public License v3.0
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Update SpaceGroupIrep.wl
#36
zhangzeyingvv
opened
1 month ago
0
Change the ViewProjection as "Orthographic" in showBZDemo
#35
zhangzeyingvv
closed
1 year ago
0
Feature request: Add a common command prefix to facilitate command/function selection/invocation.
#34
hongyi-zhao
closed
2 years ago
1
Let `showBZDemo` generate BCS style Brillouin zone plot.
#18
hongyi-zhao
closed
2 years ago
3
Is it really necessary to obtain and analyze the LG IRs of all Bloch states in energy bands?
#17
hongyi-zhao
closed
2 years ago
1
Some notes on the use of `SpaceGroupIrep` and `vasp2trace` for spin orbit coupling and spin polarized calculations.
#16
hongyi-zhao
closed
2 years ago
6
Add some instructions for the installation and use of Spglib's Python interface.
#15
hongyi-zhao
closed
2 years ago
4
Naming convention for the example `trace.txt` files in this project.
#14
hongyi-zhao
closed
2 years ago
4
About the `spglib` interface used in `SpaceGroupIrep`.
#13
hongyi-zhao
closed
2 years ago
1
Derive the SU(2) from the corresponding O(3) matrices under the appropriate basis, instead of using a list in the source code.
#12
hongyi-zhao
closed
2 years ago
22
Understand the group theory explanation of Dirac point in graphene with the help of `SpaceGroupIrep`.
#11
hongyi-zhao
closed
2 years ago
19
Fix the problem when evaluating a cell: Cannot find the kernel with the specified name "K1".
#10
hongyi-zhao
closed
2 years ago
0
showBZDemo: This error is because RegionIntersection cannot work well for certain parameters in mathematica v11.2, but this problem does not occur in v12.0.
#9
hongyi-zhao
closed
2 years ago
3
About the precise definitions of little group and Herring little group.
#8
hongyi-zhao
closed
2 years ago
3
Some related databases and group theory tools/packages.
#7
hongyi-zhao
closed
2 years ago
1
`Thermo_pw` has added the symmetry analysis at zone border point in nonsymmorphic space groups.
#6
hongyi-zhao
closed
2 years ago
13
Interface this package with tight-binding/density-functional theory (TB/DFT) codes to facilitate related research.
#5
hongyi-zhao
closed
2 years ago
23
Possible tools/utilities to help convert/implement this project into/with other languages.
#4
hongyi-zhao
closed
2 years ago
2
In the long run, the user guide should be re-written in English using LaTeX and titled in pure English.
#3
hongyi-zhao
closed
2 years ago
1
Some additional questions on the results generated by `getBCsymmetry.py` tool.
#2
hongyi-zhao
closed
2 years ago
9
Get the Seitz notation of the space group symmetries for a specific crystal structure.
#1
hongyi-zhao
closed
2 years ago
12