Here you can download stable releases of EQuUs with the most significant release notes.
- EQuUs v4.9.146 (2019.12.26.)
Doxygen documentation Updated
Steady state non-equilibrium Keldysh Green function theory added. (see classes NTerminal_Keldysh, Transport_Interface_Keldysh, Ribbon_Keldysh)
Coulomb blockade transport calculation added (see example Coulomb_Diamonds.m).
Interface regions adopted to SVD decomposition.
rotation of eigenvectors in degenerate k-space developed.
Triangle lattice added. (see class Triangle_Lead_Hamiltonians)
TMDC lattice specification added. (see classes TMDC_Monolayer_Lead_Hamiltonians, TMDC_Monolayer_SOC_Lead_Hamiltonians, TMDC_Bilayer_SOC_Lead_Hamiltonians)
Siesta Interface added.
- EQuUs v4.8.141 (2018.12.12.)
Doxygen documentation Updated
Bug fixed regarding transverse monentum computations
Backward compatibility fixed of the example plots.
- EQuUs v4.8.128 (2018.11.08.)
Doxygen documentation created
output message of automatic test fixed
Method shifting coordinates and combine structures added to class Coordinates.
Orbital type attributes to structure Coordinates
Doxygen documentation of the EQuUs_MKL package developed
Bug fixed: undefined character in the example Bug fixed: unwanted running of the constructor of the class FermiDirac Bug fixed: Undefined UnitTests removed from automatic_test.m Overlap_in_Leads default values removed from Filters/XMLinput.m
Reuse the function KeepIndexes of class Coordinates in NTerminal
Lattice constant property added to Coordinates class.
Overlap_in_Leads default values removed from Filters/XMLinput.m
transverse momentum applied with good sign
Structure Coordinates converted to class
small modification in example SNSJosephson
Bug fixed: unnecessary variable gfininv removed from the code in class SNSJosephson
bug fixed in automatic testing
Bug fixed: The data stored by junction_sites are not consistent with the sites in the calculated Green function
Creation of a class instance Custom_Hamiltonian is fixed in CreateLeadHamiltonians
Bug fixed: error message fixed in class Ribbon
attribute junction_sites added to Transport_Interface and is calculated with the Green operator
Classes NTerminal and Ribbon now use only their own InputParsing functions in the constructor.
Structure Circle added to structures
class ValidationFunctions deleted
Class Transport_Interface actulized
unnecessary methods removed from SNSJosephson
constructor of class UtilsBase is reused in class IV
appParamValue replaced by appParameter
warping matrix elements fixed in bilayer Hamiltonians, but not in the H1_transverse coupling
New energy range input added in SNSJosephson and TwoTerminal class changed to NTerminal class
SelfEnergy option added to SNSJosephson constructor
Bug fixed:MEX functions to calculate the partial inverse were not called even if the MKL EQuUs component was developed.
Bug fixed: getting junction sites in calculations using self-energy is fixed.
fixing sign of the calculated conductance tensor
Bug fixed: The creation of the scatter Hamiltonian was broken when the width of the scattering region is not equal to the number of sites in the unit cell.
Class Surface_Green_Function replaced by a class Lead
class UtilsBase created and added to the repository
Debug option enabled in the examples
Obtaining the coordinates for full Hamiltonians in class SNSJosephson
Cloning methods developed for several classes
graphene bilayer Hamiltonians of type 2 is developed
Bug fixed: doubling of the Fermi energy when cloning Ribbon
creating interface region for systems needing SVD regularization
Bug fixed: reordering of the coupling Hamiltonian for BdG systems in the interface region
Bug fixed: superconductivity in the interface regions fixed
Bug fixed: unitary transformation of the self energy and surface Green function for custom Hamiltonians in SNSJosephson fixed
error handling added to EQuUs MKL component
MKL component developed for MIC devices.
Faster method to create the Hamiltonian of the scattering region.
Bug fixed: in class SNSJosephson the gauge transformation for the lead was fixed.
Decimation and SVD regularization moved to independent functions in class SVDregularizationLead
Bug fixed: rotation of eigenvectors in degenerate k-space developed. For left eigenvestors still not working well.
Lieb Hamiltonians developed
Bug fixed: nonsigular sites indexing in decimation procedure.
Dyson Equation moved from Ribbon to Two terminal. In addition example SNS_Josephson pass with class TwoTerminal.
Interface regions adopted to SVD decomposition
Bug fixed: adding overlap matrices for the scattering region
SVD regularization of lead Hamiltonians developed (SVDregularizationLead)
- EQuUs v4.8 beta (2016.12.06.)
Green function method to calculate I-V curves with interface IV
Hamiltonians for Lieb lattice implemented
Compatibility with Octave version 4 and later
Selective inverse method applied from the Intel MKL Pardiso component
Two Terminal interface introduced for modeling general two terminal setups.
Custom_Hamiltonians class introduced to load Hamiltonians from external sources.
Overlap matrices can be now also considered in the computational procedures.
EQuUs v4.7 (2015.12.20.)
Calculations with transverse momentum quantum numbers: AdaptiveQ
Hamiltonians for SSH model implemented
Interface controlling the parallel pool in parallel computations: Parallel
Unit test for spectral density function is added.
Integration path in SNSJosephson for finite temperatures is fixed.
Interface CombineRibbons implemented in interface SNSJosephson.
Automatic test procedure developed.
- EQuUs v4.5 (2015.05.26.)
Optimized interface SNSJosephson for parallel computations.
Dyson's equation based on the self energies of the leads is introduced in the interface Ribbon.
Cloning of several interfaces are now possible for parallel computations.
Hamiltonians for bilayer graphene are developed.
Ribbons with armchair edges are now supported.
Bug fixed in the output xml file regarding the Fermi energy.
Bug fixed in the DecimateInterface method.
Interface CombineRibbons developed.
Calculations using the left eigenmodes improved, but still unstable numerically for large systems.
Performance improvements in the interface Surface_Green_function.
SVD decomposition for singular matrices.
1.8.16