Related papers: SpaceGroupIrep: A package for irreducible represen…
The irreducible representation of band structure is important for physical properties. Based on phonopy and recently developed SpaceGroupIrep package, we developed a package PhononIrep, which can get the band irreducible representation for…
We present an open-source program irvsp, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation Package. This code is fed with plane-wave-based wavefunctions…
A new section of databases and programs devoted to double crystallographic groups (point and space groups) has been implemented in the Bilbao Crystallographic Server (http://www.cryst.ehu.es). The double crystallographic groups are required…
We present IrRep - a Python code that calculates the symmetry eigenvalues of electronic Bloch states in crystalline solids and the irreducible representations under which they transform. As input it receives bandstructures computed with…
Spin-space groups (SSGs), including the traditional space groups (SGs) and magnetic space groups (MSGs) as subsets, describe the complete symmetries of magnetic materials with weak spin-orbit coupling (SOC). In the present work, we…
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…
Considered are eighty sets of layer groups, each set consisted of four groups: ordinary single and double, and gray single and double layer group. Structural properties of layer groups (factorization onto cyclic subgroups and existence of…
The irreducible bases in the icosahedral group space are calculated explicitly by reducing the regular representation. The symmetry adapted bases of the system with {\bf I} or {\bf I}$_{h}$ symmetry can be calculated easily and generally by…
The ordinary Bondi-Metzner-Sachs (BMS) group B is the common asymptotic symmetry group of all asymptotically flat Lorentzian space-times. As such, B is the best candidate for the universal symmetry group of General Relativity. However, in…
We present an open-source software package IRSSG for investigating magnetic systems with spin space groups (SSGs). The package works within the density functional theory (DFT) framework and requires wavefunctions from DFT codes, such as…
We present the Mathematica group theory package GTPack providing about 200 additional modules to the standard Mathematica language. The content ranges from basic group theory and representation theory to more applied methods like crystal…
This article is intended to an introductory lecture in material physics, in which the modern computational group theory and the electronic structure calculation are in collaboration. The effort of mathematicians in field of the group…
The ordinary Bondi-Metzner-Sachs (BMS) group B is the common asymptotic symmetry group of all asymptotically flat Lorentzian space-times. As such, B is the best candidate for the universal symmetry group of General Relativity. However, in…
Bloch wavefunctions in solids form a representation of crystalline symmetries. Recent studies revealed that symmetry representations in band structure can be used to diagnose the topological properties of weakly interacting materials. In…
We develop a package using the computer algebra system GAP for computing the decomposition of a representation $\rho$ of a finite group $G$ over $\mathbb{C}$ into irreducibles, as well as the corresponding decomposition of the centraliser…
We describe the InfraRed Data Reduction (IRDR) software package, a small ANSI C library of fast image processing routines for automated pipeline reduction of infrared (dithered) observations. We developed the software to satisfy certain…
A point group is a set of spatial symmetry operations in molecular systems and is an indispensable tool for analyzing molecular orbitals and spectroscopy experiments in chemistry. Several quantum algorithms to exploit this symmetry have…
Mathematica package LiteRed is described. It performs the heuristic search of the symbolic IBP reduction rules for loop integrals. It implements also several convenient tools for the search of the symmetry relations, construction of the…
In this manuscript we consider the extent to which an irreducible representation for a reductive Lie group can be realized as the sheaf cohomolgy of an equivariant holomorphic line bundle defined on an open invariant submanifold of a…
Symmetry packaging is the phenomenon whereby, upon particle creation, all the internal quantum numbers (IQNs) become locked into a single irreducible representation (irrep) block of the gauge group, as required by locality and gauge…