Simphony: A full tight-binding package for lattice vibrations and topological phonon analysis

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Authors: F. Ballester, Juan Luis Mañes, Ion Errea, Maia G. Vergniory
Cited by: 0

Abstract

Simphony is an open-source software package designed for the topological analysis of lattice vibrations based on Wannier tight-binding models. Its primary function is to classify the topology of novel materials by computing bulk and slab phonon band structures, extracting phonon surface spectra, and providing analysis tools such as Wilson loop calculations and Weyl node detection. The workflow is analogous to that of established electronic topology codes like Wannier90 and WannierTools. It also incorporates long-range polar interactions during the wannierization process, making Simphony one of the first tools capable of diagnosing topology in polar insulators.

Fields of Study & Subjects

Topological Materials and Phenomena Thermal properties of materials Chemical and Physical Properties of Materials

Publication details

Journal / source
Computer Physics Communications
Volume
329
Pages
110373–110373
Publication date
19 August 2026
Language
EN