EQuUs: Eötvös Quantum Transport Utilities

EQuUs v4.8 (comming soon) is a free software distributed under the GNU General Public License. EQuUs is designed for transport calculations implementing the equilibrium Greens function formalism developed in:
  • A. Cresti, G. Grosso and G. Pastori Parravicini, Eur. Phys. J. B 53, 537-549 (2006).
  • S. Sanvito, C.~J. Lambert, J.~H. Jefferson and A. M. Bratkovsky, Phys. Rev. B 59, 11936 (1999).
  • I. Rungger and S. Sanvito, Phys. Rev. B 78, 035407 (2008).
  • P. Rakyta, E. Tóvári, M. Csontos, Sz. Csonka, A. Csordás, J. Cserti, Phys. Rev. B 90, 125428 (2014).
  • P. Rakyta, A. Kormányos, J. Cserti, Phys. Rev. B 93, 224510 (2016).

EQuUs v4.8 comes with the following functionalities:

  • Spin and charge transport in normal/superconducting systems

  • Multi-terminal structures

  • Automatically generated predefined lattice structures

  • Inclusion of overlap matrices.

  • SVD regularization of the leads.

  • Interface for the SIESTA package

  • Inclusion of custom Hamiltonians (molecular structures)

  • Automatic transformation to the Bogoliubov-de Gennes model

Peter Rakyta

Peter Rakyta

  • Efficient numerical components for large-scaled non-trivial structures

  • Automatic magnetic field and gauge transformation

  • DC Josephson current

  • DC Josephson current in multi-terminal structures

  • Self-consistent framework for electron density based functionals.
    (self-consistent charge distribution, electron-electron interaction, s-type pair potential)

  • Transverse momentum resolved computations.

  • Computing the energy and the wave function of the eigenstates.

Peter Rakyta

Peter Rakyta