BerkeleyGW python
☆36Oct 30, 2026Updated last week
Alternatives and similar repositories for BGWpy
Users that are interested in BGWpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- BerkeleyGW examples☆20Feb 23, 2024Updated 2 years ago
- Julia package for studying electron-phonon coupling☆19Updated this week
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 3 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated 4 months ago
- A tool for calculating topological invariants.☆98Feb 20, 2025Updated last year
- 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.
- materials.sh☆10Sep 8, 2019Updated 7 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆108Apr 13, 2021Updated 5 years ago
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- PauliAlgebra package and supporting documents☆16Jun 7, 2014Updated 12 years ago
- Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)☆347Oct 20, 2026Updated 2 weeks ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 4 years ago
- from linearized augmented plane waves to maximally localized Wannier functions☆13Dec 23, 2016Updated 9 years ago
- ☆11Nov 10, 2020Updated 5 years ago
- A tool for creating and manipulating tight-binding models.☆42Mar 6, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.☆15Dec 18, 2023Updated 2 years ago
- The Devil in the Details: A Tutorial Review on Some Undervalued Aspects of Density Functional Theory Calculations☆10Sep 13, 2020Updated 6 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Sep 13, 2020Updated 6 years ago
- Open-source library for analyzing the results produced by ABINIT☆143Oct 3, 2026Updated last month
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 5 months ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Horace is a suite of programs for the visualization and analysis of large datasets from time-of-flight neutron inelastic scattering spect…☆10Oct 3, 2026Updated last month
- 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.
- Mat3ra.com platform documentation containing a detailed explanation of the entities, and their relationship, as well as a list of hands-o…☆11Updated this week
- A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.☆183Oct 14, 2026Updated 3 weeks ago
- Take electron-phonon interaction as non-adiabatic coupling to do non-adiabatic molecular dynamics simulation.☆11Jun 27, 2024Updated 2 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated 4 months ago
- Tutorial material for hands-on sessions (work in progress)☆26Jun 12, 2021Updated 5 years ago
- Modular computation tool chain library☆23Updated this week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆343Jun 9, 2025Updated last year
- Qbox public repository☆40Aug 26, 2026Updated 2 months ago
- TRIQS-based Stochastic Optimization Method for Analytic Continuation☆16Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Jul 24, 2026Updated 3 months ago
- High-Performance configuration patterns and recipes.☆45Oct 26, 2026Updated last week
- ☆19Jul 25, 2022Updated 4 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated last year
- Git mirror of https://svn.fysik.dtu.dk/projects/gpaw/trunk☆15Feb 28, 2011Updated 15 years ago
- Addon for Blender to import and work with molecules and other atomic structures☆10Jun 27, 2019Updated 7 years ago
- Spin-adapted TD-DFT for open-shell systems☆15Oct 30, 2026Updated last week