qtpyt

A quantum transport library based on the Non-equilibrium Green's function (NEGF) formalism written in Python.

Features

• base : Base API for Green's function and Self-energies.
• block_tridiag : Block-tridiagonal Green's function and recursive algorithms.
• surface : Surface Green's function based on Principal Layer.
• screening : GW many-body screening.
• parallel : MPI API for parallel calculations.

Dependencies

• ase
• scipy
• numpy >= 1.21, < 1.22
• numba >= 0.55
• mpi4py

License

The qtpyt license is MIT, please see the LICENSE file.