vesta ☆

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Description:
Visualisation for electronic and structural analysis

Type: Cask | Latest Version: 3.5.8@0 | Tracked Since: Dec 28, 2025

Links: Homepage | formulae.brew.sh

Category: Other

Tags: crystallography materials-science visualization dft scientific-computing

Install: brew install --cask vesta

About:
VESTA is a comprehensive visualization program for electronic and structural analysis, primarily used in materials science and crystallography. It enables users to display and manipulate crystal structures, volumetric data such as electron/charge densities and wave functions, and results from periodic electronic structure calculations. The tool's main value proposition is its ability to integrate diverse structural and electronic data types into intuitive 3D visualizations for scientific analysis.

Key Features:

Visualization of crystal structures and unit cells
Display of volumetric data (charge density, orbitals, wavefunctions)
Support for multiple file formats (VASP, QE, CIF, POSCAR, etc.)
Creation of publication-quality figures and graphics
Analysis tools for structural properties and symmetry

Use Cases:

Analyzing electronic band structures and density of states from DFT calculations
Visualizing and comparing crystal structures from experimental or computational data
Creating figures for materials science research publications

Alternatives:

VMD – VMD is focused on molecular dynamics and biomolecular systems, while VESTA specializes in periodic crystal structures and solid-state physics data.
XCrySDen – XCrySDen is an older tool for crystal structure and band structure visualization, whereas VESTA offers a more modern interface and broader support for volumetric data.
Avogadro – Avogadro is a general-purpose molecular editor and visualization tool, while VESTA is more specialized for periodic boundary conditions and solid-state analysis.

Version History

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