Scientific Python package for tight-binding calculations in solid state physics
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Updated
Oct 15, 2023 - C++
Scientific Python package for tight-binding calculations in solid state physics
BandUP: Band Unfolding code for Plane-wave based calculations
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
Modeling and Crystallographic Utilities
Unfolding the band structure of a supercell obtained with VASP
This can construct the tight-binding model and calculate energies
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.
Band diagram and Field of 2D photonic cristal
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
Post-processing toolkit for electronic structure calculations
Simple band structure computation for Bravais-lattice materials in Python.
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Semi-empirical tight-binding computation of the electronic structure of semiconductors
Computes the electronic band structure of bulk ZB semiconductor with various k.p models
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
Nearest neighbor tight-binding estimation of band structures of bulk and nano-ribbon (Armchair and Zigzag) graphene.
Unfolding of first-principle electronic band structure
Band Structure and Density of States computation of the Brillouin Zone.
Band structure computation using empirical pseudopotentials
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