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.

Unfolding the band structure of a supercell obtained with VASP

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

Post-processing toolkit for electronic structure calculations

Computes the electronic band structure of Zinc Blende semiconductor

Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN

A Julia package for calculating properties of crystalline solids.

Electronic structure calculations using Julia

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

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

Semi-empirical tight-binding computation of the electronic structure of semiconductors

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

General purpose Slater-Koster tight-binding library for electronic structure calculations