scripts related to qe
☆28Jan 14, 2022Updated 4 years ago
Alternatives and similar repositories for qe-study
Users that are interested in qe-study are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python program for calculating the surface SHG yield for semiconductors.☆21Sep 15, 2025Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 9 months ago
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 3 years ago
- Take electron-phonon interaction as non-adiabatic coupling to do non-adiabatic molecular dynamics simulation.☆11Jun 27, 2024Updated 2 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Simulation package for constructing model band structures and calculate momentum resolved EEELS (low loss region) on the basis of these☆17Apr 8, 2021Updated 5 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆197Sep 5, 2026Updated 2 weeks ago
- ☆16Feb 27, 2020Updated 6 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- ☆25Jan 20, 2025Updated last year
- Density matrix embedding theory for periodic systems☆19Dec 3, 2021Updated 4 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆48Aug 24, 2024Updated 2 years ago
- python interface to isotropy☆18Aug 12, 2020Updated 6 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- This is a GPU optimized version of ShengBTE.☆20Oct 3, 2024Updated last year
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 3 years ago
- many-body perturbation theory without empty states☆13Jul 6, 2018Updated 8 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 10 months ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆24Oct 9, 2019Updated 6 years ago
- A technical guide for pairing CJK and Latin fonts☆13Oct 5, 2021Updated 4 years ago
- Visualize interactively phonon dispersions and their eigenvectors☆15Feb 7, 2025Updated last year
- Geometric analysis of crystal structures☆16Jun 16, 2022Updated 4 years ago
- ☆11Nov 10, 2020Updated 5 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.
- ☆18Updated this week
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 7 years ago
- a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF☆11Sep 24, 2024Updated last year
- The PyTorch implementation of ML framework for predicting band structure, taking an example of graphene nanoribbon systems.☆12Oct 6, 2022Updated 3 years ago
- Unfolding with quantum computing.☆16Aug 26, 2022Updated 4 years ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 8 months ago
- Automation of VASP DFT workflows with ASE - application scripts☆23May 24, 2023Updated 3 years ago
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years 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.
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 6 months ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 7 years ago
- ☆15Feb 20, 2025Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆87Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆96Jan 21, 2020Updated 6 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago