Welcome to pynegf’s documentation!

Pynegf is a Python wrapper around libnegf, a Fortran library for the simulation of nanoelectronic devices based on the Non Equilibrium Green’s Function (NEGF) method.

libnegf is used in DFTB+, the purpose of this wrapper is to allow using the NEGF algorithm with custom Hamiltonian or with external electronic structure codes.

Pynegf allows to use most of libnegf features. Currently this include:

• Calculation of transmission, coherent current and density of states via equilibium Green’s function.

• Calculation of density matrix via complex contour integration using non-equilibrium green’s function.

• Linear scaling for quasi-1d systems via iterative algorithm.

• Inclusion of electron-phonon interaction in the limit of dephasing approximation.

Content:

• Getting started
• Reference guide
  • pynegf package
• Tutorials
  • Transmission of a linear chain
  • Current in a linear chain with dephasing model
  • Equilibrium density in a linear chain
  • Non-equilibrium density with dephasing in a linear chain

Indices and tables

• Index

• Module Index

• Search Page