Related papers: Local symmetry groups for arbitrary wavevectors

We propose indicators of the discriminant for systems with generalized inversion symmetry which are computed from data only at high-symmetry points in the Brillouin zone. Our approach captures the exceptional points and their…

It was suggested method of constructing of irreducible projective representations in different points of Brilluin zone. Points \Gamma, \Lambda, Z, S, A, \Sigma, M, V, R, and X of space symmetry groups $P4_{1}2_{1}2$ and $P4_{3}2_{1}2$ were…

We develop an algorithm for i) computing generalized regular $k$-point grids, ii) reducing the grids to their symmetrically distinct points, and iii) mapping the reduced grid points into the Brillouin zone. The algorithm exploits the…

Calculations of properties of materials require performing numerical integrals over the Brillouin zone (BZ). Integration points in density functional theory codes are uniformly spread over the BZ (despite integration error being…

Building upon the efficient implementation of hybrid density functionals (HDFs) for large-scale periodic systems within the framework of numerical atomic orbital bases using the localized resolution of identity (RI) technique, we have…

We investigate the representations of the symmetry groups of infinite crystals. Crystal symmetries are usually described as the finite symmetry group of a finite crystal with periodic boundary conditions, for which the Brillouin zone is a…

The recently developed selected columns of the density matrix (SCDM) method [J. Chem. Theory Comput. 11, 1463, 2015] is a simple, robust, efficient and highly parallelizable method for constructing localized orbitals from a set of…

Complex bands $\vec{k}^{\perp}(E)$ in a semiconductor crystal, along a general direction $\vec{n}$, can be computed by casting Schr\"odinger's equation as a generalized polynomial eigenvalue problem. When working with primitive lattice…

We investigate certain fixed points in the boundary conformal field theory representation of type IIA D-branes on Gepner points of K3. They correspond geometrically to degenerate brane configurations, and physically lead to enhanced gauge…

We use circle method prove an asymptotic local-global theorem on the heights of point orbits of thin subgroups of Bianchi groups in $\mathbb H^3$.

In this work we introduce a symmetry classification for electronic density waves which break translational symmetry due to commensurate wave vector modulations. The symmetry classification builds on the concept of extended point groups:…

A well-known combinatorial algorithm can decide generic rigidity in the plane by determining if the graph is of Pollaczek-Geiringer-Laman type. Methods from matroid theory have been used to prove other interesting results, again under the…

We give a classification of integral lattices with virtually abelian symmetry group. As a consequence, we complete the classification of K3 surfaces with virtually abelian automorphism group. In the appendix we formulate an algorithm for…

We propose new symmetry-adapted rigidity matrices to analyze the infinitesimal rigidity of arbitrary-dimensional bar-joint frameworks with Abelian point group symmetries. These matrices define new symmetry-adapted rigidity matroids on…

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…

Existing symmetry discovery methods predominantly focus on global transformations across the entire system or space, but they fail to consider the symmetries in local neighborhoods. This may result in the reported symmetry group being a…

A general rule is presented for the decomposition of the direct product of irreducible representation at arbitrary Brillouin zone point $\bf{R}$ with its negative: the number of the appearences of the zone center representation equals the…

In this paper we compute the topological K-homology of 2-dimensional crystal groups. Our method focuses on the fixed point of group action and simplifies the calculation of the K-homology of universal space. The result also verifies the…

Symmetry is an implicit objective in structural form-finding that often reconciles efficiency and aesthetics. This paper identifies the symmetry of polyhedral diagrams in three-dimensional graphic statics (3DGS) as point groups and…

We consider the local to global principle for detecting linear dependence of points in groups of the Mordell-Weil type. As applications of our general setting we obtain corresponding statements for Mordell-Weil groups of non{-}CM elliptic…