BandUP: Band Unfolding code for Plane-wave based calculations
☆107Apr 13, 2021Updated 5 years ago
Alternatives and similar repositories for bandup
Users that are interested in bandup are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 3 months ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- ☆29Jun 30, 2024Updated 2 years ago
- Python Package for Band Unfolding of Plane-wave Based First-Principles Calculations☆29Jul 27, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 2 years ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆291Apr 27, 2026Updated 4 months ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 11 months ago
- ☆81Aug 15, 2026Updated 3 weeks ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 6 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- ☆20Jan 22, 2022Updated 4 years ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 7 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆122Aug 15, 2026Updated 3 weeks ago
- High-Performance configuration patterns and recipes.☆45Jun 2, 2026Updated 3 months ago
- Fermi surface generation, analysis and visualisation.☆102Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 3 months ago
- A Python library for electronic structure pre/post-processing☆224Jan 29, 2026Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆86Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆202Updated this week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆337Jun 9, 2025Updated last year
- D3Q + thermal2☆30Jun 8, 2026Updated 2 months ago
- ☆62Jul 19, 2022Updated 4 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆59Mar 12, 2026Updated 5 months ago
- A tool for calculating topological invariants.☆98Feb 20, 2025Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 7 months ago
- An open-source framework to treat strongly correlated materials using DMFT.☆34Aug 7, 2026Updated last month
- 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.
- ☆25Updated this week
- Electronic transport properties from first-principles calculations☆163Aug 31, 2026Updated last week
- Python modules for electron–phonon models☆41Aug 25, 2026Updated 2 weeks ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A Wannier90 python interface for VASP and PySCF☆43Oct 21, 2025Updated 10 months ago
- Effective Mass Calculator for Semiconductors☆111Oct 12, 2020Updated 5 years ago
- Visualise lattice vibrations☆112Apr 4, 2026Updated 5 months ago