论文标题
SpaceGroupireP：用于空间群体不可约表示的包裹
SpaceGroupIrep: A package for irreducible representations of space group
论文作者
论文摘要
我们已经开发了一个Mathematica程序软件包SpaceGroupireP，它是卑诗省公约中空间群体不可减至表示的数据库和工具，即C. J. Bradley＆A。A. P. Cracknell撰写的著名书中使用的公约。使用此软件包，可以轻松获得任何空间群，小组，小组或小coup的中心扩展的元素。该软件包不仅可以为任何K点提供小组（LG）IRS，还可以为任何直觉表格的K-Stars提供空间组（SG）IR，并且支持单价值和双价值IRS。该软件包可以计算任何两个K-Stars SG IRS的直接乘积分解。该软件包可以在卑诗省公约中的能量带中的Bloch状态的LG IRS确定，这对于任何输入原始单元都有效，这要归功于其在BC约定中将任何输入单元转换为单元的任何输入单元的能力。该软件包还可以提供BCS（Bilbao Crystallographic Server）和BC约定之间的K点和LG IR标签的对应关系。总而言之，包装太空集团对研究和研究都非常有用，例如用于分析谱带拓扑或确定选择规则。
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 co-group can be easily obtained. This package can give not only little-group (LG) IRs for any k-point but also space-group (SG) IRs for any k-stars in intuitive table form, and both single-valued and double-valued IRs are supported. This package can calculate the decomposition of the direct product of SG IRs for any two k-stars. 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 k-points 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.
