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

For more details, see Documentation.