论文标题
MSGCOREP：用于磁性空间组核心代表的软件包
MSGCorep: A package for corepresentations of magnetic space groups
论文作者
论文摘要
通过轻松访问三维空间中所有1651个磁性空间组（MSG）的完整核心表（COREP）数据，我们已经开发了Mathematica软件包MSGCOREP，以基于我们以前的软件包SpaceGroupeRep，提供了CorePS和各种功能的离线数据库来操纵它们。人们可以使用包装MSGCOREP获取任何MSG和磁性小组的元素，以计算组元素的乘法，以在任何磁性K-Star的任何K-Point和coreps中获取任何MSG的小核心，并以用户友好的表格中的任何磁性K-Star显示它们，并以较小的磁性磁性磁场的直接核心产品的直接分解，以确定两个指定磁性磁场的直接产品，以确定两个指定的磁性核心产品。支持单值和双值核心。此外，此软件包还支持122个磁点组（MPG）及其核心。据我们所知，MSGCOREP是第一个能够计算出任何MSG的完整核心产品的直接乘积，并能够确定能量频段的小核心。总而言之，MSGCOREP软件包是用于MSG，MPG及其Coreps的离线数据库和工具集，研究磁性和非磁性材料中的对称性非常有用。
Motivated by easy access to complete corepresentation (corep) data of all the 1651 magnetic space groups (MSGs) in three-dimensional space, we have developed a Mathematica package MSGCorep to provide an offline database of coreps and various functions to manipulate them, based on our previous package SpaceGroupIrep. One can use the package MSGCorep to obtain the elements of any MSG and magnetic little group, to calculate the multiplication of group elements, to obtain the small coreps at any k-point and full coreps of any magnetic k-star for any MSG and show them in a user-friendly table form, to calculate and show the decomposition of direct products of full coreps between any two specified magnetic k-stars, and to determine the small coreps of energy bands. Both single-valued and double-valued coreps are supported. In addition, the 122 magnetic point groups (MPGs) and their coreps are also supported by this package. To the best of our knowledge, MSGCorep is the first package that is able to calculate the direct product of full coreps for any MSG and able to determine small coreps of energy bands for general purpose. In a word, the MSGCorep package is an offline database and tool set for MSGs, MPGs, and their coreps, and it is very useful to study the symmetries in magnetic and nonmagnetic materials.
