sisl.physics.electron.EigenvalueElectron

class sisl.physics.electron.EigenvalueElectron(c, parent=None, **info)[source]

Bases: sisl.physics.electron.CoefficientElectron

Eigenvalues of electronic states, no eigenvectors retained

This holds routines that enable the calculation of density of states.

Methods

`DOS`(E[, distribution])	Calculate DOS for provided energies, E.
`copy`()	Return a copy (only the coefficients are copied).
`degenerate`([eps])	Find degenerate coefficients with a specified precision
`iter`([asarray])	An iterator looping over the coefficients in this system
`occupation`([distribution])	Calculate the occupations for the states according to a distribution function
`remove`(idx[, inplace])	Return a new coefficient without the specified coefficients
`sub`(idx[, inplace])	Return a new coefficient with only the specified coefficients
`c`
`dkind`	The data-type of the coefficient (in str)
`dtype`	Data-type for the coefficients
`eig`	Eigenvalues
`info`
`parent`
`shape`	Returns the shape of the coefficients

DOS(E, distribution='gaussian')[source]

Calculate DOS for provided energies, E.

This routine calls sisl.physics.electron.DOS with appropriate arguments and returns the DOS.

See DOS for argument details.

__init__(c, parent=None, **info)

c

copy(): Return a copy (only the coefficients are copied). parent and info are passed by reference

degenerate(eps=1e-08)

Find degenerate coefficients with a specified precision

Parameters: eps (float, optional) – the precision above which coefficients are not considered degenerate
Returns: a list of indices
Return type: list of numpy.ndarray

property dkind: The data-type of the coefficient (in str)

property dtype: Data-type for the coefficients

property eig: Eigenvalues

info

iter(asarray=False)

An iterator looping over the coefficients in this system

Parameters

asarray (bool, optional) – if true the yielded values are the coefficient vectors, i.e. a numpy array. Otherwise an equivalent object is yielded.

Yields

coeff (Coefficent) – the current coefficent as an object, only returned if asarray is false.
coeff (numpy.ndarray) – the current the coefficient as an array, only returned if asarray is true.

occupation(distribution='fermi_dirac')[source]

Calculate the occupations for the states according to a distribution function

Parameters: distribution (str or func, optional) – distribution used to find occupations
Returns: len(self) with occupation values
Return type: numpy.ndarray

parent

remove(idx, inplace=False)

Return a new coefficient without the specified coefficients

Parameters

idx (int or array_like) – indices that are removed in the returned object
inplace (bool, optional) – whether the values will be removed inplace

Returns

a new coefficient without containing the requested elements

Return type

Coefficient

property shape: Returns the shape of the coefficients

sub(idx, inplace=False)

Return a new coefficient with only the specified coefficients

Parameters

idx (int or array_like) – indices that are retained in the returned object
inplace (bool, optional) – whether the values will be retained inplace

Returns

a new coefficient only containing the requested elements, only if inplace is false

Return type

Coefficient