Tutorials for Quantum Espresso
☆30Aug 18, 2022Updated 4 years ago
Alternatives and similar repositories for QETutorials
Users that are interested in QETutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Esercitazioni DFT con quantum espresso☆15Jun 4, 2024Updated 2 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Book on Chemical Reactions and Dynamical Systems☆15Apr 11, 2023Updated 3 years ago
- This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.☆19Jan 7, 2026Updated 9 months ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆203Sep 5, 2026Updated last month
- ☆17Dec 13, 2022Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Docker images with the basic software stack for AiiDAlab☆10Updated this week
- Calculate parity of a k point using WAVECAR☆11Oct 10, 2019Updated 7 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated 4 months ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 4 years ago
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆98Jul 7, 2026Updated 3 months ago
- Tutorials on CP2K calculations☆68Dec 16, 2021Updated 4 years ago
- ☆27Jul 15, 2026Updated 3 months ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 5 months ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆18Jun 9, 2021Updated 5 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
- An API btw Quantum ESPRESSO and Python☆21Jan 28, 2022Updated 4 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Updated this week
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response☆20Aug 28, 2023Updated 3 years ago
- AiiDAlab App for Quantum ESPRESSO☆35Oct 20, 2026Updated last week
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- Tutorial for Wannier2022☆17Oct 16, 2026Updated 2 weeks ago
- Commands to run VASP jobs automatically. Pre-processing or post-processing☆10Jan 8, 2024Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆25Jul 14, 2023Updated 3 years ago