KITE: high-performance quantum transport software
Simão M. João, Miša Anđelković, Lucian Covaci, Tatiana G. Rappoport, João M. Viana Parente Lopes, Aires Ferreira · Figshare · 2019
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