Official mirror of Quantum ESPRESSO
☆48Jan 27, 2018Updated 8 years ago
Alternatives and similar repositories for q-e_old
Users that are interested in q-e_old are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆20Aug 10, 2023Updated 2 years ago
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆20Jul 1, 2024Updated 2 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated this week
- ase interface for Quantum Espresso☆69Feb 22, 2020Updated 6 years ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆675Jun 13, 2026Updated 2 weeks 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.
- Qbox public repository☆39Jun 3, 2026Updated 3 weeks ago
- ☆19Oct 24, 2018Updated 7 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU☆32Feb 23, 2017Updated 9 years ago
- A library of ultrasoft and PAW pseudopotentials☆104Sep 16, 2022Updated 3 years ago
- A third-party distribution of Multiwfn for gfortran, 100% free!☆20Jul 31, 2018Updated 7 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆15Jul 26, 2022Updated 3 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated 9 months ago
- The CSCS ReFrame test suite☆15Jun 25, 2026Updated last week
- 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.
- MPI parallelization for PySCF☆36Nov 1, 2024Updated last year
- Many-body dispersion library☆61Jun 18, 2026Updated 2 weeks ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆263May 23, 2026Updated last month
- Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages☆22Apr 10, 2026Updated 2 months ago
- ☆18May 29, 2024Updated 2 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Official repository of the Wannier90 code☆327Updated this week
- Projected Electronic Bands in Quantum Espresso☆17Oct 21, 2025Updated 8 months ago
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- 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.
- Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation☆24Dec 19, 2023Updated 2 years ago
- A set of ipython and c++ tutorials☆24Updated this week
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 2 years ago
- ase interface for Quantum Espresso☆22Feb 27, 2021Updated 5 years ago
- ☆22Jan 25, 2023Updated 3 years ago
- The official AiiDA plugin for Quantum ESPRESSO☆87Jun 9, 2026Updated 3 weeks ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Set of quantum chemistry programs and libraries☆44Dec 19, 2020Updated 5 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- 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.
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆22Jun 15, 2026Updated 2 weeks ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated 3 months ago
- A collection of examples for running different types of VASP calculations.☆35Oct 30, 2016Updated 9 years ago
- ☆15Apr 8, 2023Updated 3 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆85Jan 2, 2025Updated last year
- Transfrormation between Cartesian coordinates and redundant internal coordinates☆26Jun 2, 2022Updated 4 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆28Jun 12, 2026Updated 2 weeks ago