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.