Fermi surface generation, analysis and visualisation.
☆102May 2, 2026Updated 2 weeks ago
Alternatives and similar repositories for IFermi
Users that are interested in IFermi 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 collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆278Apr 27, 2026Updated 3 weeks ago
- Python version ofthe BandUP code☆28Oct 14, 2024Updated last year
- Dealing with slabs for first principles calculations of surfaces☆68Sep 17, 2023Updated 2 years ago
- ☆10Sep 26, 2025Updated 7 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆133Oct 23, 2022Updated 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.
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆42Mar 27, 2026Updated last month
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆121May 11, 2026Updated last week
- Band structure unfolding made easy!☆67Apr 28, 2026Updated 3 weeks ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Electronic transport properties from first-principles calculations☆160Updated this week
- Heavyweight plotting tools for ab initio calculations☆251Apr 9, 2026Updated last month
- Advanced tool for Wannier interpolation and integration of k-space integrals☆117Apr 22, 2026Updated 3 weeks ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 9 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 3 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆25Jun 9, 2020Updated 5 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆64Mar 11, 2022Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- a python package for computing magnetic interaction parameters☆97Apr 25, 2026Updated 3 weeks ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Python package to analyse the structural dynamics of perovskites☆54Jan 14, 2026Updated 4 months ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- An updated version of the VASP2WANNIER90v2 interface☆107Sep 19, 2023Updated 2 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 11, 2026Updated last week
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jan 12, 2026Updated 4 months ago
- ☆13Nov 16, 2022Updated 3 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 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.
- A Python library for electronic structure pre/post-processing☆213Jan 29, 2026Updated 3 months ago
- Symmetry analysis and symmetrize in Wannier orbitals☆44Apr 26, 2024Updated 2 years ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Add on-site SOC to Wannier Hamiltonian.☆19Mar 24, 2021Updated 5 years ago
- A general parser for VASP☆15Updated this week
- A framework to treat strongly correlated materials using beyond-DFT methods☆25Dec 1, 2020Updated 5 years ago