☆18Oct 20, 2026Updated 2 weeks ago
Alternatives and similar repositories for cif2qewan
Users that are interested in cif2qewan are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆25Oct 24, 2026Updated last week
- A Python library for crystallographic symmetry operations and Symmetry-Adapted Multipole Basis (SAMB).☆14Oct 27, 2026Updated last week
- ☆20Jan 22, 2022Updated 4 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)☆13May 3, 2024Updated 2 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.
- Python Package for Band Unfolding of Plane-wave Based First-Principles Calculations☆29Jul 27, 2026Updated 3 months ago
- Install script collection for open-source software☆14Jul 10, 2026Updated 3 months ago
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆22Oct 21, 2025Updated last year
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24Sep 22, 2026Updated last month
- ☆10Jun 4, 2025Updated last year
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 3 years ago
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 8 months ago
- Fermi surface viewer providing multiple representation schemes☆28Apr 19, 2026Updated 6 months ago
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 4 months 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.
- Calculate parity of a k point using WAVECAR☆11Oct 10, 2019Updated 7 years ago
- Integrate migemo into search in Vim.☆16Oct 1, 2022Updated 4 years ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆18Jul 9, 2026Updated 3 months ago
- Electron-phonon averaged approximation☆11Jun 30, 2025Updated last year
- D3Q + thermal2☆30Jun 8, 2026Updated 4 months ago
- On-the-fly computation of IR basis functions☆30Oct 15, 2026Updated 2 weeks ago
- ☆30Mar 15, 2023Updated 3 years ago
- A high-performance matrix product state(MPS) algorithms library based on GraceQ/tensor☆19May 20, 2022Updated 4 years ago
- ☆26Jul 8, 2023Updated 3 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.
- The PyFlow package is a Python implementation of the flow equation method for approximately diagonalising large many-body quantum systems…☆31Aug 27, 2023Updated 3 years ago
- Unfolding with quantum computing.☆16Aug 26, 2022Updated 4 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 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
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.☆10Dec 6, 2021Updated 4 years ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated last year
- python interface to isotropy☆18Aug 12, 2020Updated 6 years ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Mar 25, 2026Updated 7 months ago
- ☆16Nov 29, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆26May 27, 2025Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated last year
- Visualize interactively phonon dispersions and their eigenvectors☆16Feb 7, 2025Updated last year
- band unfolding using quantum espresso☆13Jul 7, 2023Updated 3 years ago
- Live Debian GNU/Linux System for MateriApps Applications☆57Oct 3, 2025Updated last year
- A playground for Wannier functions☆45Oct 19, 2026Updated 2 weeks ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆21Jan 29, 2026Updated 9 months ago