HopTB.jl

HopTB.jl is a tight-binding package written in julia. The package has the ability of dealing with non-orthogonal tight-binding models and aims at both first principle calculations of real materials and model calculations.

For real materials, HopTB.jl currently has interfaces with Wannier90, openMX and FHI-aims. Tight-binding systems are created with these density functional packages and HopTB.jl is a post-processing tool.

For model calculation, HopTB.jl has a similar API as pythtb to construct tight-binding models.

HopTB.jl provides infrastructure for analyzing response function and analyzing band structures. In addition, HopTB.jl contains out-of-box features including

Permittivity
Drude weight
Anomalous Hall effect
Spin Hall effect
Shift current conductivity
Second harmonic generation
Symmetrization of tight binding model
Intrinsic nonlinear Hall conductivity
Berry curvature dipole
Second order Drude weight
Fermi surface extraction