phononwebsite

phononwebsite is a web-based tool for visualizing lattice vibrations (phonons) in materials. It provides an interactive 3D visualization of phonon modes, allowing users to explore atomic displacements for different phonon branches and q-…

5. PHONONS 5.5 Utilities Interfaces VERIFIED
Back to Directory Official Website

Overview

phononwebsite is a web-based tool for visualizing lattice vibrations (phonons) in materials. It provides an interactive 3D visualization of phonon modes, allowing users to explore atomic displacements for different phonon branches and q-points.

Reference Papers

Reference papers are not yet linked for this code.

Full Documentation

Official Resources

  • Homepage: https://henriquemiranda.github.io/phononwebsite/
  • Source Repository: https://github.com/henriquemiranda/phononwebsite
  • License: MIT License

Overview

phononwebsite is a web-based tool for visualizing lattice vibrations (phonons) in materials. It provides an interactive 3D visualization of phonon modes, allowing users to explore atomic displacements for different phonon branches and q-points.

Scientific domain: Phonon visualization, lattice dynamics education
Target user community: Researchers and students visualizing phonon modes

Theoretical Methods

  • Phonon mode visualization
  • Eigenvector animation
  • 3D crystal structure display
  • Interactive q-point selection
  • Mode frequency display

Capabilities (CRITICAL)

  • Interactive 3D phonon visualization
  • Atomic displacement animations
  • Multiple phonon branches
  • Q-point path navigation
  • Phonopy band.yaml support
  • Web-based interface
  • No installation required

Key Strengths

Web-Based:

  • No installation needed
  • Cross-platform
  • Shareable visualizations
  • Educational tool

Interactive:

  • 3D manipulation
  • Mode selection
  • Animation controls
  • Intuitive interface

Inputs & Outputs

  • Input formats:

    • Phonopy band.yaml
    • JSON phonon data
  • Output data types:

    • Interactive visualizations
    • Animations
    • Screenshots

Interfaces & Ecosystem

  • Phonopy: Primary data source
  • Web browser: Interface
  • JavaScript/Three.js: Rendering

Advanced Features

  • 3D visualization: Interactive crystal structure display
  • Mode animation: Atomic displacement animations
  • Q-point navigation: Interactive path selection
  • Branch selection: Individual phonon branch visualization
  • Three.js rendering: High-quality WebGL graphics
  • Shareable links: Direct URL to specific visualizations

Performance Characteristics

  • Web-based: Runs in browser
  • No installation required
  • Fast rendering with WebGL
  • Cross-platform compatible

Computational Cost

  • Phonopy calculation: External (dominant cost)
  • phononwebsite: No computation (visualization only)
  • Overall: Zero computational overhead

Best Practices

  • Use converged Phonopy calculations
  • Export band.yaml with eigenvectors
  • Use modern browser for best performance
  • Adjust animation speed for clarity

Limitations & Known Constraints

  • Limited analysis features
  • Visualization only
  • Requires compatible input
  • Browser-dependent

Application Areas

  • Phonon mode visualization
  • Teaching and education
  • Publication figures
  • Mode analysis
  • Presentations

Verification & Sources

Primary sources:

  1. Website: https://henriquemiranda.github.io/phononwebsite/
  2. GitHub: https://github.com/henriquemiranda/phononwebsite

Confidence: VERIFIED

Verification status: ✅ VERIFIED

  • Source code: OPEN (GitHub, MIT)
  • Web interface: ACCESSIBLE

Related Tools in 5.5 Utilities Interfaces