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nlPrint — Print the object in a nicely formatted way to screen or, more in general, to the standard output.
The function nlPrint() is a sophisticated way of printing
your objects to the standard output. This is done in a well-arranged style, which
makes possible and easy the inspection of the objects of NanoLanguage. The
formatted output produced by this function is compatible with the input format of
most third-party 2D plotting software products.
List of arguments
The object to printed to standard output. It can be one of the following:
A PhysicalQuantity, including a sequence of PhysicalQuantity as calculated from calculateCurrent() for spin-polarized systems.
A MoleculeConfiguration, BulkConfiguration, PeriodicAtomConfiguration, or TwoProbeConfiguration.
An Eigenstate, which can be a molecular wave function,
a Bloch state,
created by calculateEigenstates(),
or an MPSH wave function
created by
calculateProjectedHamiltonianEigenstates()
as well as a transmission eigenchannel created by
calculateTransmissionEigenstates().
An EnergySpectrum created by calculateMolecularEnergySpectrum() or by
calculateProjectedHamiltonianEnergySpectrum().
An EnergyBands created by calculateEnergyBands().
An AtomicForces created by calculateAtomicForces().
A MullikenPopulation created by calculateMullikenPopulation().
A TransmissionSpectrum created by calculateTransmissionSpectrum().
A DensityOfStates created by calculateDensityOfStates().
A Bravais Lattice of all the types
of Bravais lattices.
Default:
None
from ATK.KohnSham import * molecule = MoleculeConfiguration(...) method = KohnShamMethod(...) scf = method.apply(molecule) # Calculate molecular spectrum spectrum = calculateMolecularEnergySpectrum(scf) # Print it to screen nlPrint(spectrum)
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