sisl.physics.phonon.EigenvaluePhonon

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

Bases: CoefficientPhonon

Eigenvalues of phonon modes, no eigenmodes 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`([atol])	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`(index[, inplace])	Return a new coefficient without the specified coefficients
`sub`(index[, 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
`hw`	Eigenmode values in units of \(\hbar \omega\) [eV]
`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.phonon.DOS with appropriate arguments and returns the DOS.

See DOS for argument details.

__init__(c, parent=None, **info)

c

copy() → Coefficient

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

Parameters:: coefficient (Coefficient)
Return type:: Coefficient

degenerate(atol: float = 1e-08)

Find degenerate coefficients with a specified precision

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

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

property dtype: Data-type for the coefficients

property hw: Eigenmode values in units of \(\hbar \omega\) [eV]

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='bose_einstein')[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:: ndarray

parent

remove(index: sisl.typing.SimpleIndex, inplace: bool = False) → Coefficient | None

Return a new coefficient without the specified coefficients

Parameters:

index (sisl.typing.SimpleIndex) – indices that are removed in the returned object
inplace (bool) – whether the values will be removed inplace
coefficient (Coefficient)

Returns:

a new coefficient without containing the requested elements

Return type:

Coefficient

property shape: Returns the shape of the coefficients

sub(index: sisl.typing.SimpleIndex, inplace: bool = False) → Coefficient | None

Return a new coefficient with only the specified coefficients

Parameters:

index (sisl.typing.SimpleIndex) – indices that are retained in the returned object
inplace (bool) – whether the values will be retained inplace
coefficient (Coefficient)

Returns:

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

Return type:

Coefficient