In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). Please post your questions in the 'Discussion' section of FourPhonon repository.
☆31Nov 14, 2023Updated 2 years ago
Alternatives and similar repositories for Fourthorder
Users that are interested in Fourthorder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆81Apr 20, 2026Updated last month
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆55May 9, 2025Updated last year
- An efficient deterministic solver for phonon BTE☆35May 12, 2026Updated 2 weeks ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆38May 19, 2026Updated last week
- Public releases of the NeuralIL differentiable neural-network force field☆14Sep 10, 2024Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆118Mar 31, 2026Updated last month
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- TDEP Tutorials☆37Jun 1, 2025Updated 11 months ago
- Calculating electron-phonon couplings with DFTB.☆11Apr 28, 2026Updated last month
- Fix lattice component(s) during relaxation in VASP☆142Nov 27, 2025Updated 6 months ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- 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.
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 4 months ago
- Phonon code☆480May 21, 2026Updated last week
- Electronic transport properties from first-principles calculations☆160Updated this week
- A library of ultrasoft and PAW pseudopotentials☆101Sep 16, 2022Updated 3 years ago
- ☆12Nov 8, 2025Updated 6 months ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆26Updated this week
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆85Aug 3, 2025Updated 9 months ago
- D3Q + thermal2☆27Nov 3, 2025Updated 6 months ago
- Solving Poisson equation using a spectral method, also introducing VTK which will probably be used for other projects☆16Dec 31, 2025Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ThermoElectric is a computational framework that computes electron transport coefficients.☆24Sep 23, 2024Updated last year
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- Phonon anharmonicity analysis from molecular dynamics☆141Apr 14, 2026Updated last month
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Mar 11, 2020Updated 6 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 2 weeks ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated 2 years ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆123Updated this week
- some tools for post-processing VASP output files.☆12Mar 24, 2021Updated 5 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python package for fitting dielectric/Raman/IR spectral data with an arbitrary number of different lineshape functions☆14Mar 12, 2026Updated 2 months ago
- This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory fil…☆15Nov 27, 2023Updated 2 years ago
- A simulation package of phonon-phonon interaction related properties☆163Updated this week
- Official repository of the Wannier90 code☆323May 5, 2026Updated 3 weeks ago
- CPU version of NEP☆97Mar 4, 2026Updated 2 months ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago