Here we summarize the basic building blocks of the EQuUs package.
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adaptiveQ
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Returns a class for controlling the distribution of the transverse momentum points. A minimal list of transverse momentums (qvec) and the corresponding function values (y) of fhandle are dynamicaly created in order to obtain the values of fhandle over the elements of interpq via interpolation. (Typically qvec contains significantly less elements than interpq.)
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CommonFunctions
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Provides a class for common functionalities
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CreateHamiltonians
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A class to create and store the Hamiltonian and geometry data of the scattering region.
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CreateLeadHamiltonians
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Class to create and store Hamiltonian of the translational invariant leads.
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Custom_Hamiltonians
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Class to import custom Hamiltonians provided by other codes or created manually. Currently is implemented an interface to the Siesta package.
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Decimation
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Class to reduce the number of sites in the Hamiltonian via decimation procedure.
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EigenProblemLead
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Class to solve the eigenproblem of a translational invariant leads and calculate the group velocities.
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FermiDirac
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A class describing the Fermi Dirac distribution of fermionic particles.
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Hex Lead Hamiltonians
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Class to create the Hamiltonian of one unit cell in a ribbon made of hexagonal lattice structure, including graphene and silicene.
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LoadFromFile
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A class to load variables from a file.
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Messages
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A class containing of methods for displaying messages.
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Parallel
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A class for controlling the parallel pool for parallel computations.
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Peierls
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A class to perform the Peierls and gauge transformations on the Green's functions and on the Hamiltonians.
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Square Lead Hamiltonians
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Class to create the Hamiltonian of one unit cell in a ribbon made of square lattice structure, including the SSH model
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Surface Green function
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A class providing methods to calculate the
- Greens function of an infinite ribbon.
- the surface Greens function of a semi-infinite ribbon.
- the surface Greens function of a finite piece of the lead.
- the surface Greens function of a complex structure generated from infinite ribbon using the Dyson equation.
- the self-energy of the semi-infinite ribbon.
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Transport Interface
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A class to evaluate the Dyson equation and to calculate the scattering matrix and the conductance.
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