A collection of structures, force constants and phonon data obtained from first-principles calculations
☆41Sep 13, 2020Updated 5 years ago
Alternatives and similar repositories for Phonons
Users that are interested in Phonons are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆35Oct 23, 2023Updated 2 years ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Crsytal simulation tools☆10Feb 24, 2026Updated last week
- A code to simulate linearized phonon transport☆15May 7, 2017Updated 8 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Band unfolding for phonons☆60Oct 23, 2024Updated last year
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆48May 6, 2024Updated last year
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆14Feb 11, 2021Updated 5 years ago
- A general forcefield for phonon properties of metal-organic frameworks☆13Sep 13, 2020Updated 5 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago
- Blender extensions for illustrations of phonons☆68Mar 6, 2019Updated 6 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 6 months ago
- Visualise lattice vibrations☆107Jun 3, 2025Updated 9 months ago
- A simulation package of phonon-phonon interaction related properties☆157Feb 26, 2026Updated last week
- Point symmetry analysis tool for theoretical chemistry objects☆21Dec 2, 2025Updated 3 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Sep 17, 2023Updated 2 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆109Sep 3, 2019Updated 6 years ago
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Feb 20, 2026Updated last week
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Feb 7, 2026Updated 3 weeks ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52May 9, 2025Updated 9 months ago
- A wrapper for many computational codes of thermal conductivity☆27Jul 6, 2022Updated 3 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Electronic transport properties from first-principles calculations☆158Updated this week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆33Jan 6, 2026Updated last month
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆183Feb 10, 2026Updated 3 weeks ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 8 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated 11 months ago
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12May 13, 2019Updated 6 years ago