tight-binding
There are 83 repositories under tight-binding topic.
grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
quanshengwu/wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
dean0x7d/pybinding
Scientific Python package for tight-binding calculations in solid state physics
crest-lab/crest
CREST - A program for the automated exploration of low-energy molecular chemical space.
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
grimme-lab/xtb-python
Python API for the extended tight binding program package
Z2PackDev/Z2Pack
A tool for calculating topological invariants.
tblite/tblite
Light-weight tight-binding framework
joselado/pyqula
Python library to compute different properties of quantum tight binding models in a lattice
pablosanjose/Quantica.jl
Simulation of quantum systems on a lattice
mailhexu/TB2J
a python package for computing magnetic interaction parameters
HopTB/HopTB.jl
Tight-binding package written in Julia
joselado/quantum-lattice
User-friendly open-source software to design and solve tight-binding models, addressing electronic properties, topology, interactions, non-collinear magnetism, and unconventional superconductivity, among others.
joselado/quantum-honeycomp
Package to perform tight binding calculation in tight binding models, with a friendly user interface
santoshkumarradha/pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
Z2PackDev/TBmodels
A tool for creating and manipulating tight-binding models.
deepmodeling/DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
joselado/pygra
Python library to compute different properties of tight binding models
Cloudiiink/pyw90
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
freude/NanoNet
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.
dftbplus/skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Infant83/TBFIT
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
QG-phy/TBSOC
Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
dipc-cc/hubbard
Python tools for mean-field Hubbard models
grimme-lab/xtb4stda
sTDA-xTB Hamiltonian for ground state
ltalirz/atomistic-software
Tracking citations of atomistic simulation engines
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
tpolakovic/SimpleQuantum
A Julia package for calculating properties of crystalline solids.
Anjishnubose/TightBindingToolkit.jl
Tools for general Tight Binding systems
aromanro/TightBinding
Semi-empirical tight-binding computation of the electronic structure of semiconductors
alejandrojuria/tightbinder
General purpose Slater-Koster tight-binding library for electronic structure calculations
ZekiZeybek/ExactDiag
Code for exact diagonalization of BoseHubbard hamiltonian
joselado/qutranpy
User interface to perform quantum transport calculations with non equilibrium Green's functions