KITE: high-performance quantum transport software

KITE is an open-source Python/C++ software suitable for Large-Scale Tight-Binding (TB) quantum transport calculations. The code is shipped with the following capabilities:

- Quantum Transport: longitudinal and transverse DC conductivities at zero and finite temperature;

- Optical Properties: AC longitudinal conductivity;

- Optical Properties: nonlinear optical susceptibility [x];

- Electronic Structure: high-resolution density of states (DoS) in clean and disordered systems;

- Special Features: automated magnetic field in 2D [x];

- Special Features: lattice perturbations (e.g., strain) and 'disorder cell' concept for implementation of multi-orbital/-bond impurities;

- Algorithms: ultra-high-resolution CPGF full spectral (DoS);

- Algorithms: high-resolution CPGF full spectral (finite temperature response functions);

- Algorithms: ultra-high-resolution CPGF single-shot (zero temperature DC conductivity)

[x] not available in the beta pre-release