TDEP Tutorials
☆37Jun 1, 2025Updated 10 months ago
Alternatives and similar repositories for tdep-tutorials
Users that are interested in tdep-tutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆21Dec 19, 2024Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆112Mar 31, 2026Updated 3 weeks ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆81Apr 20, 2026Updated last week
- ☆13Dec 14, 2024Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆52Dec 24, 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.
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆49May 6, 2024Updated last year
- Band structure unfolding made easy!☆63Updated this week
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 3 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29Dec 10, 2024Updated last year
- Materials Science Scripts☆13Aug 28, 2025Updated 8 months 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
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆36Jan 6, 2026Updated 3 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆54May 9, 2025Updated 11 months ago
- Phonon anharmonicity analysis from molecular dynamics☆140Apr 14, 2026Updated 2 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆185Mar 23, 2026Updated last month
- A collection of files related to machine learning force fields☆22Oct 25, 2023Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Massively parallel vibrational mode calculator.☆23Aug 14, 2024Updated last year
- Generate symmetrized force constants☆27Apr 23, 2026Updated last 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.
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 3 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆190Mar 4, 2026Updated last month
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- ☆13Apr 12, 2023Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆91Nov 5, 2025Updated 5 months ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Dec 31, 2025Updated 4 months ago
- Phonon code☆474Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python package for enhancing VASP AIMD simulations and analysis☆13Jul 1, 2025Updated 9 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆30Aug 6, 2021Updated 4 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Apr 14, 2026Updated 2 weeks ago
- A phonon irreducible representations calculator☆23Apr 11, 2024Updated 2 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆30Nov 14, 2023Updated 2 years ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Apr 11, 2026Updated 2 weeks ago
- A Python 3 script to visualise atomic displacement using the Vesta file format☆23Apr 19, 2020Updated 6 years ago