QE-GIPAW for Quantum-Espresso (official repository)
☆40May 25, 2026Updated this week
Alternatives and similar repositories for qe-gipaw
Users that are interested in qe-gipaw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Real-time TDDFT for Quantum-Espresso☆26Jun 22, 2023Updated 2 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- Calculates Berry connections and other properties from DFT packages☆16May 22, 2026Updated last week
- Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…☆19Dec 18, 2020Updated 5 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 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.
- DFT simulation of He atom☆13Sep 21, 2021Updated 4 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13May 22, 2026Updated last week
- AiiDA plugin that makes running shell commands easy.☆17May 21, 2026Updated last week
- The official AiiDA plugin for Quantum ESPRESSO☆84Updated this week
- Electronic structure code for molecules and clusters☆36May 9, 2026Updated 3 weeks ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)☆22Jan 24, 2022Updated 4 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Routines for loading Nanonis data into Python☆11Jan 6, 2026Updated 4 months 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.
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆92Jan 21, 2020Updated 6 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- ☆13Feb 14, 2025Updated last year
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27May 8, 2026Updated 3 weeks ago
- ☆12Aug 4, 2025Updated 9 months ago
- Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)☆22Jan 17, 2021Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- A poor man's density functional theory program☆14May 18, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python modules for electron–phonon models☆38Apr 14, 2026Updated last month
- python interface to isotropy☆17Aug 12, 2020Updated 5 years ago
- C++ implementation of examples☆18Oct 16, 2018Updated 7 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 2 months ago
- A Jupyter widget to plot bandstructure and density of states.☆17Sep 12, 2024Updated last year
- ☆12Jan 16, 2020Updated 6 years ago
- Build slab models for crystal surfaces.☆18Jul 29, 2020Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Electronegativity equilibration model for atomic partial charges☆25Mar 9, 2026Updated 2 months ago
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 5 years ago
- Forlab is a Fortran module that provides a lot of functions for scientific computing mostly inspired by Matlab and Python's package NumPy…☆34Dec 23, 2021Updated 4 years ago
- A small library written in python 3 to parse Nanonis binary and ascii files☆29Mar 27, 2023Updated 3 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated last month
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆14Apr 21, 2026Updated last month
- Visualize interactively phonon dispersions and their eigenvectors☆15Feb 7, 2025Updated last year