tight-binding

There are 90 repositories under tight-binding topic.

  • xtb

    grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Language:Fortran69932559173

  • dftbplus/dftbplus

    DFTB+ general package for performing fast atomistic simulations

    Language:Fortran38620328171
  • wannier_tools

    quanshengwu/wannier_tools

    WannierTools: An open-source software package for novel topological materials. Full documentation:

    Language:Fortran30023135142

  • crest-lab/crest

    CREST - A program for the automated exploration of low-energy molecular chemical space.

    Language:Fortran2691028950

  • zerothi/sisl

    Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

    Language:Python2121649961

  • dean0x7d/pybinding

    Scientific Python package for tight-binding calculations in solid state physics

    Language:C++200146172

  • tblite/tblite

    Light-weight tight-binding framework

    Language:Fortran159510052

  • joselado/pyqula

    Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.

    Language:Python11461234

  • grimme-lab/xtb-python

    Python API for the extended tight binding program package

    Language:Python11346832

  • grimme-lab/dxtb

    Efficient And Fully Differentiable Extended Tight-Binding

    Language:Python10345919

  • Z2PackDev/Z2Pack

    A tool for calculating topological invariants.

    Language:Python94911352

  • deepmodeling/DeePTB

    DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

    Language:Python8534417

  • mailhexu/TB2J

    a python package for computing magnetic interaction parameters

    Language:Python8383031

  • pablosanjose/Quantica.jl

    Simulation of quantum systems on a lattice

    Language:Julia7931059

  • 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.

    Language:Python664314

  • HopTB/HopTB.jl

    Tight-binding package written in Julia

    Language:Julia55489
  • pysktb

    santoshkumarradha/pysktb

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

    Language:Python54529

  • joselado/quantum-honeycomp

    Package to perform tight binding calculation in tight binding models, with a friendly user interface

    Language:Python483520

  • Cloudiiink/pyw90

    A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization

    Language:Python40183

  • Z2PackDev/TBmodels

    A tool for creating and manipulating tight-binding models.

    Language:Python4044627

  • 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.

    Language:Jupyter Notebook344815

  • grimme-lab/xtb_docs

    Language:Python3483139

  • joselado/pygra

    Python library to compute different properties of tight binding models

    Language:Python335321

  • Infant83/TBFIT

    Tight-binding parameter fitting package (TBFIT) for Slater-Koster method

    Language:Fortran303716

  • QG-phy/TBSOC

    Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.

    Language:Jupyter Notebook26336

  • dftbplus/skprogs

    Basic programs for generating Slater-Koster files for the DFTB-method

    Language:Fortran2543819

  • dipc-cc/hubbard

    Python tools for mean-field Hubbard models

    Language:Python2568510

  • xatu-code/xatu

    Xatu solves the Bethe-Salpeter equation in solids to obtain the exciton spectrum

    Language:C++25329

  • ltalirz/atomistic-software

    Tracking citations of atomistic simulation engines

    Language:JavaScript2437413

  • grimme-lab/xtb4stda

    sTDA-xTB Hamiltonian for ground state

    Language:Fortran1951110

  • Anjishnubose/TightBindingToolkit.jl

    Tools for general Tight Binding systems

    Language:Julia18130

  • alejandrojuria/tightbinder

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

    Language:Python17186

  • LaurentNevou/Q_band_ZB

    Computes the electronic band structure of Zinc Blende semiconductor

    Language:MATLAB16203

  • tpolakovic/SimpleQuantum

    A Julia package for calculating properties of crystalline solids.

    Language:Julia15121

  • aromanro/TightBinding

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

    Language:C++14328

  • vasilsaroka/TBpack

    Tight-binding calculations in Mathematica

    Language:Mathematica14208