Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
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Updated
Jun 18, 2024 - Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
A tool for calculating topological invariants.
A tool for creating and manipulating tight-binding models.
Simulation of quantum systems on a lattice
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum
a python package for computing magnetic interaction parameters
Tight-binding calculations in Mathematica
DFTB+ general package for performing fast atomistic simulations
Light-weight tight-binding framework
Semiempirical Extended Tight-Binding Program Package
Slave-Spin Mean-Field approach based on tight-binding models.
Python API for the extended tight binding program package
Basic programs for generating Slater-Koster files for the DFTB-method
Python library to compute different properties of quantum tight binding models in a lattice
Tracking citations of atomistic simulation engines
CREST - A program for the automated exploration of low-energy molecular chemical space.
WannierTools: An open-source software package for novel topological materials. Full documentation:
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