ProjectedLocalDensityOfStates¶

class ProjectedLocalDensityOfStates(configuration, method=None, energies=None, kpoints=None, contributions=None, self_energy_calculator=None, energy_zero_parameter=None, infinitesimal=None, density_mesh_cutoff=None, processes_per_energy=None)¶

Class for representing the projected local density of states.

Parameters:

configuration (DeviceConfiguration.) – The configuration to calculate the projected local DOS of.
method (LocalDeviceDensityOfStates | DeviceDensityOfStates) – The method used for calculating the projected local DOS. Either the class of LocalDeviceDensityOfStates or DeviceConfiguration should be supplied, not instances of those classes.
Default: LocalDeviceDensityOfStates
energies (PhysicalQuantity of type energy) – The energies for which the density of states should be calculated.
Default: numpy.linspace(-2.0, 2.0, 200) * eV
kpoints (sequence (size 3) of int | MonkhorstPackGrid | KpointDensity) – The k-points for which the projected local DOS should be calculated. Note that the k-points must be in the xy-plane.
Default: MonkhorstPackGrid(na, nb) where (na, nb) is the sampling used for the self-consistent calculation.
contributions (Left | Right | All) – The density contributions to include in the projected local DOS.
Default: All
self_energy_calculator (DirectSelfEnergy | RecursionSelfEnergy | SparseRecursionSelfEnergy | KrylovSelfEnergy) – The self energy calculator to use.
Default: RecursionSelfEnergy(storage_strategy=NoStorage())
energy_zero_parameter (AverageFermiLevel | AbsoluteEnergy) – Specifies the choice for the energy zero.
Default: AverageFermiLevel
infinitesimal (PhysicalQuantity of type energy) – Small energy, used to move the calculation away from the real axis. This is only relevant for recursion-style self-energy calculators.
Default: 1.0e-6 * eV
density_mesh_cutoff (PhysicalQuantity of type energy | GridSampling | OptimizedFFTGridSampling) – The mesh cutoff to be used to determine the density grid sampling. The mesh cutoff must be a positive energy or a GridSampling object.
Default: The density mesh cutoff set on the calculator.
processes_per_energy (int | All | Automatic) – The number of processes to use for each energy point. If the number of processes is larger than the number of k-points, it is highly recommended to set this to a value between the number of k-points and the total number of processes (All). This option is only used if method is LocalDeviceDensityOfStates.
Default: All processes calculate each energy point collaboratively.

contributions()¶

Returns:: The contributions.
Return type:: Left | Right | All

electrodeVoltages()¶

Returns:: The electrode voltages.
Return type:: PhysicalQuantity of type electrical potential

energies()¶

Returns:: The energies.
Return type:: PhysicalQuantity of type energy

evaluate(spin=None)¶

Return the projected local DOS for the specified spin.

Parameters:: spin (Spin.All | Spin.Sum | Spin.X | Spin.Y | Spin.Z | Spin.Up | Spin.Down | Spin.RealUpDown | Spin.ImagUpDown) – The spin to select.
Default: Spin.Sum

infinitesimal()¶

Returns:: The infinitesimal.
Return type:: PhysicalQuantity of type energy

metatext()¶

Returns:: The metatext of the object or None if no metatext is present.
Return type:: str | None

method()¶

Returns:: The method used for calculating the projected local DOS.
Return type:: LocalDeviceDensityOfStates | DeviceDensityOfStates

nlprint(stream=None)¶

Print a string containing an ASCII table useful for plotting the AnalysisSpin object.

Parameters:: stream (python stream) – The stream the table should be written to.
Default: NLPrintLogger()

setMetatext(metatext)¶

Set a given metatext string on the object.

Parameters:: metatext (str | None) – The metatext string that should be set. A value of “None” can be given to remove the current metatext.

uniqueString()¶: Return a unique string representing the state of the object.

zSlicing()¶

Returns:: The z-slicing of the cell.
Return type:: PhysicalQuantity of type length

ProjectedLocalDensityOfStates¶

Usage Examples¶

Notes¶