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tblite
tblite

Light-weight tight-binding framework

293K 199 62
mailhexu
tb2j

a python package for computing magnetic interaction parameters

15K 97 36
zerothi
sisl

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

14K 224 65
grimme-lab
xtb

Python API for the extended tight binding program package

8K 125 34
pythtb
pythtb

Python library for constructing and analyzing tight-binding models

6K 19 4
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.

3K 136 39
dean0x7d
pybinding

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

2K 210 75
grimme-lab
dxtb

Efficient And Fully Differentiable Extended Tight-Binding

620 129 24
freude
nano-net

Python framework for tight-binding computations

526 34 15
piskunow
kpm-tools

Toolkit with Kernel Polynomial Method based modules for quantum physics simulations.

448 3 0
deepmodeling
dptb

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

413 111 32
Cloudiiink
pyw90

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

354 47 5
santoshkumarradha
pysktb

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

348 57 9
alejandrojuria
tightbinder

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

176 21 5
khsrali
ltb-symm

LTB-Symm is a publicly available code that does two things: large scale tight-binding (LTB) calculation of 2D materials, and checks topological symmetries (Symm) of their wave functions.

53 3 0
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