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

Modeling and Crystallographic Utilities

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

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.

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

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.

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

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