ANT.1D
makes use of a pre-computed Hamiltonian for the scattering section and for the disorder-free regions. It can thus be used with tight-binding parametrized models or as a post-processing procedure to a one-dimensional periodic boundary conditions self-consistent electronic structure calculation using, e.g., CRYSTAL or SIESTA codes.
















Basic functionality:
  • Spin-resolved coherent transmission spectrum and eigenchannel transmissions.

  • Density of states and projected density of states on selected atomic orbitals.

  • Charge and spin Mulliken population analysis.

  • Additional features:
Interface for extracting the necessary Hamiltonians from CRYSTAL calculations.

Advanced features:
Correlated electronic transmission function taking into account electronic interaction self-energy.

  • Interface to NCA and OCA impurity solvers for calculating electronic self-energy.

  • Dynamical Mean-Field Theory for nanoscopic conductors.
 

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