SpaceGroupIrep
swMATH ID:  36355 
Software Authors:  Liu, GuiBin; Chu, Miao; Zhang, Zeying; Yu, ZhiMing; Yao, Yugui 
Description:  SpaceGroupIrep: A package for irreducible representations of space group. We have developed a Mathematica program package SpaceGroupIrep which is a database and tool set for irreducible representations (IRs) of space group in BC convention, i.e. the convention used in the famous book ”The mathematical theory of symmetry in solids” by C. J. Bradley & A. P. Cracknell. Using this package, elements of any space group, little group, Herring little group, or central extension of little cogroup can be easily obtained. This package can give not only littlegroup (LG) IRs for any kpoint but also spacegroup (SG) IRs for any kstars in intuitive table form, and both singlevalued and doublevalued IRs are supported. This package can calculate the decomposition of the direct product of SG IRs for any two kstars. This package can determine the LG IRs of Bloch states in energy bands in BC convention and this works for any input primitive cell thanks to its ability to convert any input cell to a cell in BC convention. This package can also provide the correspondence of kpoints and LG IR labels between BCS (Bilbao Crystallographic Server) and BC conventions. In a word, the package SpaceGroupIrep is very useful for both study and research, e.g. for analyzing band topology or determining selection rules. 
Homepage:  https://arxiv.org/abs/2012.08871 
Source Code:  https://github.com/goodluck1982/SpaceGroupIrep 
Dependencies:  Mathematica 
Keywords:  Materials Science; arXiv_condmat.mtrlsci; Computational Physics; arXiv_physics.compph; Mathematica; irreducible representations; space group; little group; direct product 
Related Software:  ISOTROPY; Mathematica; ABINIT; Quantum Espresso; Bilbao Crystallography Server; MSGCorep; NanoNET; Qsymm; MagneticTB; PythTB; Z2pack; Kwant; Wannier90; VASP; Spglib; WIEN2k; GAP; MagneticKP; SPRKKR; TightBinding Studio 
Cited in:  5 Documents 
Standard Articles
2 Publications describing the Software, including 1 Publication in zbMATH  Year 

SpaceGroupIrep: a package for irreducible representations of space group. Zbl 1523.85001 Liu, GuiBin; Chu, Miao; Zhang, Zeying; Yu, ZhiMing; Yao, Yugui 
2021

SpaceGroupIrep: A package for irreducible representations of space group arXiv GuiBin Liu, Miao Chu, Zeying Zhang, ZhiMing Yu, Yugui Yao 
2020

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Cited by 9 Authors
4  Liu, GuiBin 
4  Yao, Yugui 
4  Yu, ZhiMing 
4  Zhang, Zeyin 
1  Bradley, Christopher J. 
1  Chu, Miao 
1  Cracknell, Arthur P. 
1  Li, Zhenye 
1  Yang, Shengyuan A. 
Cited in 1 Serial
4  Computer Physics Communications 
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