Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)
Scientific Python package for tight-binding calculations in solid state physics
BandUP: Band Unfolding code for Plane-wave based calculations
This can construct the tight-binding model and calculate energies
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Modeling and Crystallographic Utilities
Band diagram and Field of 2D photonic cristal
The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
Unfolding the band structure of a supercell obtained with VASP
General purpose Slater-Koster tight-binding library for electronic structure calculations
Post-processing toolkit for electronic structure calculations
Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN
Band Structure and Density of States computation of the Brillouin Zone.
Computes the electronic band structure of bulk ZB semiconductor with various k.p models
Computes the electronic band structure of Zinc Blende semiconductor
ATTENTION, development moved to IFFGIT (https://iffgit.fz-juelich.de/fleur/aiida-fleur). Please do not change code here! AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
Probabilistic machine learning for reconstruction and parametrization of electronic band sturcture from photoemission spectroscopy data
Electronic structure calculations using Julia
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