aiidateam / aiida-wannier90-workflowsView external linksLinks
A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
☆21Feb 5, 2026Updated last week
Alternatives and similar repositories for aiida-wannier90-workflows
Users that are interested in aiida-wannier90-workflows are comparing it to the libraries listed below
Sorting:
- AiiDAlab App for Quantum ESPRESSO☆26Updated this week
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated last month
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated last year
- Implements core functions for AiiDAlab.☆16Updated this week
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jan 10, 2025Updated last year
- A playground for Wannier functions☆40Updated this week
- The official AiiDA plugin for Phonopy☆20Dec 24, 2025Updated last month
- ☆20Aug 10, 2023Updated 2 years ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- machine learning interatomic potentials aiida plugin☆20Jan 30, 2026Updated 2 weeks ago
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 4 months ago
- Python tools for Quantum ESPRESSO☆37Oct 12, 2025Updated 4 months ago
- The official AiiDA plugin for Quantum ESPRESSO☆74Nov 28, 2025Updated 2 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Jan 9, 2026Updated last month
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆25Updated this week
- ☆18Dec 5, 2025Updated 2 months ago
- ☆17May 29, 2024Updated last year
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- ☆25Jan 5, 2026Updated last month
- An API btw Quantum ESPRESSO and Python☆20Jan 28, 2022Updated 4 years ago
- A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).☆12Updated this week
- Install script collection for open-source software☆14Oct 2, 2025Updated 4 months ago
- Finite-size corrections of defect energy levels involving ionic polarization☆10Oct 20, 2022Updated 3 years ago
- A Julia wrapper for the spglib C-API☆24Jan 29, 2026Updated 2 weeks ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Python code for twisting the 2D materials.☆30Dec 8, 2022Updated 3 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Updated this week
- WanTiBEXOS code repository☆16Feb 3, 2026Updated last week
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆17Feb 2, 2026Updated 2 weeks ago
- A library of ultrasoft and PAW pseudopotentials☆93Sep 16, 2022Updated 3 years ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jan 23, 2026Updated 3 weeks ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 6 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 3 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- A Python program for calculating the surface SHG yield for semiconductors.☆19Sep 15, 2025Updated 5 months ago