Eötvös Quantum Utilities  v4.9.146
Providing the Horsepowers in the Quantum Realm
File List
Here is a list of all files with brief descriptions:
 adaptiveQ.mA class providing adaptive distribution of the transverse momentum points
 antidot.mA class to perform transport calculations on a graphene antidot (i.e., a hollow in a ribbon)
 automatic_test.mLaunches the automatic test procedure
 automatic_test_MEX.mAutomatic test procedure of the compiled MEX files
 BiTeI_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell on a BiTeI lattice
 CalculateTransporSpecq.mFunction to calculate the DC transverse momentum resolved conductivity in the zero temperature limit
 CombineRibbons.m
 CommonFunctions.mA class containing common basic functionalities
 Coordinates.mStructure containing the coordinates and other quantum number identifiers of the sites in the Hamiltonians
 Coulomb_Diamonds.mTransport calculation through a graphene QD including the charging energy utilizing the diagarmmatic technique of .....
 CreateHamiltonians.mA class to create and store Hamiltonian of the scattering region
 CreateHamiltonians_Keldysh.mA class to handle the Hamiltonian of the central region in Keldysh formalism
 CreateLeadHamiltonians.mClass to create and store Hamiltonian of the translational invariant leads
 createOutput.mThis function creates an output file containing the running parameters
 Custom_Hamiltonians.mA class to import custom Hamiltonians provided by other codes or created manually
 Decimation.mA class providing function handle to reduce the number of sites in the Hamiltonian via decimation procedure
 Density.mA class to calculate the onsite desnity useful for self-consistent calculations
 dgetDiagInv.cGateway routine to call the dgetDiagInv subroutine from the mkl_EQuUs package
 dgetDiagInv_test.m
 dgetPartialInv.cGateway routine to call the dgetPartialInv subroutine from the mkl_EQuUs package
 dgetPartialInv.F
 dgetPartialInv_test.m
 dgetSchur.F
 dggev.cGateway routine to call the dggev function from LAPACKE package
 dggev.F
 dggev_test.m
 Differential_conductance.mExample to calculate the differential conductance and the IV curve through a junction made of a square lattice
 documentationGuidelines.mDocumentation guidelines to extract documentation using Doxygen
 DOS.mA class to calculate the density of states along a one-dimensional energy array
 Download.m
 EigenProblemLead.mClass to solve the eigenproblem of a translational invariant leads and calculate the group velocities
 EQuUs_C.f90An EQuUs element prototype
 EQuUs_MATLAB.cppHelper functions for interlanguage conversions
 EQuUs_MATLAB.hHeader file for felper functions for interlanguage conversions
 export_complex_sparse.F
 export_real_sparse.F
 FAQ.m
 FermiDirac.mA class describing the Fermi Dirac distribution of fermionic particles
 Fox_sax_EQuUs.f90Deallocates the XML node
 gauge_field.mScalar gauge field connecting Landaux and Landauy gauges
 Get_Atomic_Mass.mGives the molar mass of the element
 getDiagInv.F90Module to calculate the diagonal of the inverse of a real/complex sparse matrix via the PARDISO libraries
 getPartialInv.F90Module to calculate the partial inverse of a real/complex sparse matrix via the PARDISO libraries
 Graphene_antidot_transport.mCalculates the conductance through a graphene antidot in a homogeneous magnetic field
 Graphene_Conductivity.mExample to calculate the conductivity through a wide (4 micron) graphene junction
 Graphene_QAD_eig.mExample to calculate the eigenstates of quantum antidots
 Hex_Lead_Hamiltonians.mA class to create the Hamiltonian of one unit cell in a translational invariant lead made of hexagonal lattice structure, including graphene and silicene
 hsx_EQuUs.f90Converts an array of XML subnodes into an EQstruct structure prototypes
 import_complex_full.F
 import_real_full.F
 InterfaceRegion.mA class describing the interface region between the scattering region and a lead
 IV.mA class to calculate the I-V curve for a two terminal setup, based on the non-equilibrium Greens function technique of Eur
 JosephsonCurrent.mExample to calculate DC Josephson current through a one-dimensional chain
 Landaux.mVector potential in the Landau gauge parallel to the x direction
 Landauy.mVector potential in the Landau gauge parallel to the y direction
 Lattice_Bilayer_Graphene.mClass containing physical parameters of the Bilayer Graphene lattice
 Lattice_BiTeI.mClass containing physical parameters of the BiTeI lattice
 Lattice_Graphene.mClass containing physical parameters of the hexagonal (graphene) lattice
 Lattice_Graphene_Bilayer.m
 Lattice_Lieb.mClass containing physical parameters of the Lieb lattice
 Lattice_Silicene.mClass containing physical parameters of the Silicene lattice
 Lattice_Square.mClass containing physical parameters of the square lattice
 Lattice_SSH.mClass containing physical parameters of the SSH lattice
 Lattice_TMDC_Bilayer_SOC.mClass containing physical parameters of the lattice of bilayer transitional dichalcogenides including spin-orbit coupling according to PRB 92, 205108 (2015)
 Lattice_TMDC_Monolayer.mClass containing physical parameters of the lattice of monolayer transitional dichalcogenides according to PRB 92, 205108 (2015)
 Lattice_TMDC_Monolayer_SOC.mClass containing physical parameters of the lattice of monolayer transitional dichalcogenides including spin-orbit coupling according to PRB 92, 205108 (2015)
 Lattice_Triangle.mClass containing physical parameters of the triangle lattice
 Lead.mA class to calculate the Green functions and self energies of a translational invariant lead
 Lead_Keldysh.mA class to calculate the Keldysh lesser and greater Green functions and self energies of a translational invariant lead
 LoadFromFile.mA class providing interface to load variables from a file
 magnetic_barrier.mExample to calculate the conductivity through a magnetic barrier
 magnetic_ribbon.mExample to calculate the conductivity through a ribbon in a magnetic field
 main.m
 MatrixIO.F90
 Messages.mA class containing methodes for displaying several standard messages
 MinimalConductivity.mCalculates the minimal conductivity of the graphene sheet as a function of the aspect ratio
 NTerminal.mA class describing an N-terminal geometry for equilibrium calculations mostly in the zero temperature limit
 NTerminal_Keldysh.mA class describing an N-terminal geometry for steady state non-equilibrium calculations
 Parallel.mA class for controlling the parallel pool for paralell computations
 param_BiTeI_Lead.m
 param_BiTeI_scatter.mClass containing physical parameters of a scattering center defined on a BiTeI lattice
 param_Graphene_Bilayer_Lead.m
 param_Graphene_Bilayer_scatter.m
 param_Graphene_Lead.mClass containing physical parameters of a particular lead defined on a graphene lattice
 param_Graphene_scatter.mClass containing physical parameters of a scattering center defined on a graphene (hexagonal) lattice
 param_Lead.mBase class to construct a structure containing physical parameters of a specific lead
 param_Lead_DFT.mBase class to construct a structure containing physical parameters of a specific lead for DFT calculations
 param_Lieb_Lead.m
 param_Lieb_scatter.mClass containing physical parameters of a scattering center defined on a Lieb lattice
 param_scatter.mBase class to construct a structure containing physical parameters of the scattering region
 param_scatter_DFT.mBase class to construct a structure containing physical parameters of the scattering region for DFT calculations
 param_Silicene_Lead.m
 param_Silicene_scatter.mClass containing physical parameters of a scattering center defined on a Silicene lattice
 param_Square_Lead.mClass containing physical parameters of a particular lead defined on a BiTeI lattice
 param_Square_scatter.mClass containing physical parameters of a scattering center defined on a square lattice
 param_SSH_Lead.mClass containing physical parameters of a particular lead defined on a SSH lattice
 param_SSH_scatter.mClass containing physical parameters of a scattering center defined on a SSH lattice
 param_TMDC_Bilayer_SOC_Lead.mClass containing physical parameters of a particular lead defined on a TMDC Bilayer lattice including spn-orbit coupling
 param_TMDC_Bilayer_SOC_scatter.mClass containing physical parameters of a scattering center defined on a TMDC bilayer lattice including spin-orbit coupling
 param_TMDC_Monolayer_Lead.mClass containing physical parameters of a particular lead defined on a TMDC_Monolayer lattice
 param_TMDC_Monolayer_scatter.mClass containing physical parameters of a scattering center defined on a TMDC_Monolayer lattice
 param_TMDC_Monolayer_SOC_Lead.mClass containing physical parameters of a particular lead defined on a TMDC_Monolayer lattice including spn-orbit coupling
 param_TMDC_Monolayer_SOC_scatter.mClass containing physical parameters of a scattering center defined on a TMDC_Monolayer lattice including spn-orbit coupling
 param_Triangle_Lead.mClass containing physical parameters of a particular lead defined on a Triangle lattice
 param_Triangle_scatter.mClass containing physical parameters of a scattering center defined on a Triangle (hexagonal) lattice
 PardisoIncludes.F90
 parseInput.mThis function parses the input file containing the input parameters
 Peierls.mA class responsible for the Peierls and gauge transformations
 QuantumDot.mA class to process transport calculations on quantum dots
 read_hsx.cppOpens the binary HSX output of SIESTA and reads all the data
 Read_Siesta_Lead.mCreates the Hamiltonians and overlap integrals from the HSX file data of the Siesta package for the lead
 Read_Siesta_Scatter.mCreates the Hamiltonians and Overlap matrices from the HSX file data of the SIESTA output
 Read_Siesta_XML.mParses the SIESTA XML output and looks for relevant data
 read_SiestaXML.cppUsing FoX parses an XML
 Ribbon.mA class for calculations on a ribbon of finite width for equilibrium calculations mostly in the zero temperature limit
 Ribbon_Keldysh.mA class representing a two-terminal structure defined on a preprogrammed lattices for steady state non-equilibrium calculations
 ScatterPotential.mFunction for island shaped hard-wall potential profile
 Self_Consistent_Spectrum.mExample to calculate the self-consitent spectrum of a graphene quantum dot
 Self_Consistent_Transport.mExample to calculate transport through a graphene quantum dot using self-consistent potential
 SelfConsistent.mA class to evaluate self-consistent potentials depending on electron (spin resolved) densities
 Siesta_Interface.mCreates the Hamiltonians and overlap integrals from the loaded data from the Siesta package
 SNSJosephson.mA class to calculate the DC Josephson current
 SpectralDensity.mExample to calculate the spectral density function in a superconductor-graphene-superconductor junction
 Square_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell in a translational invariant lead made of square lattice structure, including the SSH model
 SSH_Josephson.m
 SSH_transport.m
 structures.m
 Surface_Green_function.mA class to calculate the Green functions and self energies of a translational invariant lead
 SVDregularizationLead.mClass to regulerize the H1 problem of the leads by SVD decompozition
 test_C_chain_siesta_SZ.m
 test_CreateHamiltonians.mTestfile to check functionalities of the class CreateHamiltonians
 test_graphene_kpoints_siesta_SZ.m
 test_graphene_siesta_DZ.m
 test_graphene_siesta_SZ.m
 test_Keldysh.mTestfile to check functionalities of the classes developed for steady-state Keldysh formalism
 test_LatticeTriangle.mTestfile to check functionalities related to calculations performed on triangle lattice
 test_Nambu.mTestfile to check functionalities related to Nambu space representation
 test_TMDC_Bilayer_SOC.mTestfile to check the lattice construction of bilayer TMDC by class TMDC_Bilayer_SOC_Lead_Hamiltonians
 test_TMDC_Monolayer.mTestfile to check the lattice construction of monolayer TMDC by classes TMDC_Monolayer_Lead_Hamiltonians and TMDC_Monolayer_SOC_Lead_Hamiltonians
 ThreeTerminalHamiltonians.mFunction to create custom Hamiltonians for unit tests on a Three-terminal setup
 TMDC_Bilayer_SOC_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell in a translational invariant lead made of TMDC bilayer lattice structure including spin-orbit coupling
 TMDC_Monolayer_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell in a translational invariant lead made of TMDC_Monolayer lattice structure
 TMDC_Monolayer_SOC_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell in a translational invariant lead made of TMDC_Monolayer_SOC lattice structure including spin-orbit coupling
 TMDC_Monolayer_Spectrum.mExample to calculate the spectra of spinless monolayer $ M_oS_2 $ TMDC with nearest neighbor (EQuUs) and second nearest neighbor (PRB 92 205108) model
 Transport_Interface.mA class to evaluate the Dyson equation and to calculate the scattering matrix for equilibrium processes
 Transport_Interface_Keldysh.mA class to evaluate the Dyson equation derived from class Transport_Interface with specific modifications for steady state non-equilibrium processes
 Triangle_Lead_Hamiltonians.mClass to create the Hamiltonian of one unit cell in a translational invariant lead made of Triangle lattice structure
 UtilsBase.mThis class is a base class containing common properties and methods utilized in several other classes
 ValidateStructures.mThis function verify the input structures Opt and param and create system specific data structures
 XML.f90Determines whether the XML node has subnodes or not
 XMLinput.mThis function is an input filter that parses XML file and fills up the parameter structures necessary to initialize EQuUs classes
 XMLoutput.m
 zgetDiagInv.cGateway routine to call the zgetDiagInv subroutine from the mkl_EQuUs package
 zgetDiagInv_test.m
 zgetPartialInv.cGateway routine to call the zgetpartialinv subroutine from the mkl_EQuUs package
 zgetPartialInv_test.m
 zggev.cGateway routine to call the zggev function from LAPACKE package
 zggev.F
 zggev_test.m
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