Unfolding of first-principle electronic band structure
☆14Apr 23, 2023Updated 2 years ago
Alternatives and similar repositories for fold2Bloch-Wien2k
Users that are interested in fold2Bloch-Wien2k 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☆25Dec 28, 2022Updated 3 years ago
- from linearized augmented plane waves to maximally localized Wannier functions☆12Dec 23, 2016Updated 9 years ago
- Matplotlib wrapper for WIEN2k post-processing☆12Jan 23, 2024Updated 2 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 2 months ago
- ☆20Aug 10, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials☆28Mar 4, 2026Updated 3 weeks ago
- ☆30May 20, 2025Updated 10 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Nov 21, 2025Updated 4 months ago
- ☆71Sep 27, 2023Updated 2 years ago
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆10Feb 23, 2018Updated 8 years ago
- A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.☆14Mar 30, 2020Updated 5 years ago
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- BerkeleyGW python☆33Jan 8, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A couple pedagogical jupyter notebooks about theoretical efficiency limits on solar cells☆23Nov 16, 2023Updated 2 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated last year
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆21Oct 21, 2025Updated 5 months ago
- ☆29Jun 30, 2024Updated last year
- Finite-size corrections of defect energy levels involving ionic polarization☆10Oct 20, 2022Updated 3 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 2 years ago
- Julia codes to play with Phonons☆24Nov 7, 2018Updated 7 years ago
- Numerical model of a laser amplifier for pulse trains, accounting for amplified spontaneous emission and finite lower state lifetime☆11Mar 11, 2016Updated 10 years ago
- 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.
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆23Mar 12, 2022Updated 4 years ago
- VASP Integrated Supporting Environment☆27Nov 10, 2025Updated 4 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆19Oct 29, 2025Updated 5 months ago
- Automated Rietveld refinement code for FullProf software☆11Apr 4, 2025Updated 11 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- Python tools for Quantum ESPRESSO☆38Mar 12, 2026Updated 2 weeks ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Jan 24, 2026Updated 2 months ago
- A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.☆169Updated this week
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 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.
- BerkeleyGW examples☆18Feb 23, 2024Updated 2 years ago
- Interface to DFT codes. Supported by the Flatiron Institute.☆42Mar 17, 2026Updated last week
- Useful scripts in Computaional Material Science.☆20Mar 12, 2026Updated 2 weeks ago
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 2 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Dec 31, 2025Updated 2 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Calculating electron-phonon couplings with DFTB.☆10Updated this week