A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
☆192Jul 2, 2026Updated 3 weeks ago
Alternatives and similar repositories for Phonopy-Spectroscopy
Users that are interested in Phonopy-Spectroscopy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆186Jan 7, 2026Updated 6 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆51May 6, 2024Updated 2 years ago
- Phonon code☆486Updated this week
- A simulation package of phonon-phonon interaction related properties☆164Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Ab initio simulator for thermal transport and lattice anharmonicity☆200Updated this week
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- Visualise lattice vibrations☆112Apr 4, 2026Updated 3 months ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆290Apr 27, 2026Updated 3 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆270Updated this week
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- Advanced tool for Wannier interpolation and integration of k-space integrals☆120Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Apr 25, 2024Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 3 years ago
- Electronic transport properties from first-principles calculations☆164Jul 13, 2026Updated 2 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆122Jul 2, 2026Updated 3 weeks ago
- Export Eigenvectors from Phonopy format to VESTA☆54Dec 24, 2024Updated last year
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆123Updated this week
- Band unfolding for phonons☆63Oct 23, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆83Apr 20, 2026Updated 3 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 2 months ago
- A Python library for electronic structure pre/post-processing☆216Jan 29, 2026Updated 6 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆135May 26, 2026Updated 2 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 7 months ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A plugin to AiiDA for running simulations with VASP☆64Updated this week
- ☆21Jun 29, 2026Updated last month
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- Examples for the TB2J code☆21Oct 9, 2025Updated 9 months ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆335Jun 9, 2025Updated last year
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago