Tutorials for Quantum Espresso
☆30Aug 18, 2022Updated 3 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
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- 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
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆193Jul 23, 2026Updated 2 weeks ago
- 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.
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.☆18Jan 7, 2026Updated 7 months ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago
- ☆17Dec 13, 2022Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years 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 3 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated last month
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆90Jul 7, 2026Updated last month
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 3 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- ☆26Jul 15, 2026Updated 3 weeks ago
- Calculation of the electron-phonon coupling parameter and heat capacities (i.e. all material-specific quantities required for a two-tempe…☆10Jan 24, 2022Updated 4 years ago
- Advanced Quantum ESPRESSO school: Hubbard and Koopmans functionals from linear response☆19Aug 28, 2023Updated 2 years ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- ☆246Jul 31, 2020Updated 6 years ago
- An API btw Quantum ESPRESSO and Python☆21Jan 28, 2022Updated 4 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.
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated last month
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Updated this week
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 5 years ago
- AiiDAlab App for Quantum ESPRESSO☆32Updated this week
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Aug 23, 2023Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 2 months ago
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated last year
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- Tutorial for Wannier2022☆18Apr 6, 2026Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- VELAS is a user-friendly open-source toolbox for the visualization and analysis of elastic anisotropy written in GNU Octave that can be u…☆19May 13, 2025Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16May 18, 2026Updated 2 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆63Jul 30, 2026Updated last week
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 2 months ago
- Neural force field learning toolkit☆14Jul 17, 2026Updated 3 weeks ago
- DensityTool post-processing program for VASP☆32Nov 29, 2023Updated 2 years ago
- Tutorials on CP2K calculations☆68Dec 16, 2021Updated 4 years ago