Python tools for Quantum ESPRESSO
☆42May 16, 2026Updated last week
Alternatives and similar repositories for qe-tools
Users that are interested in qe-tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17May 29, 2024Updated last year
- ☆20Aug 10, 2023Updated 2 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 4 months ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆182Apr 18, 2026Updated last month
- The official AiiDA plugin for Quantum ESPRESSO☆81May 13, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24May 8, 2026Updated 2 weeks ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆57Jan 9, 2026Updated 4 months ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 2 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆18Feb 23, 2026Updated 3 months ago
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated 6 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Apr 20, 2026Updated last month
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.