EigenvaluePhonon

class sisl.physics.EigenvaluePhonon(c, parent=None, **info)

Eigenvalues of phonon modes, no eigenmodes retained

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

Attributes

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

Methods

DOS(self, E[, distribution])	Calculate DOS for provided energies, E.
__init__(self, c[, parent])	Initialize self.
copy(self)	Return a copy (only the coefficients are copied).
degenerate(self, eps)	Find degenerate coefficients with a specified precision
iter(self[, asarray])	An iterator looping over the coefficients in this system
occupation(self[, distribution])	Calculate the occupations for the states according to a distribution function
sub(self, idx)	Return a new coefficient with only the specified coefficients

DOS(self, E, distribution='gaussian')

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.

c

copy(self)

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

degenerate(self, eps)

Find degenerate coefficients with a specified precision

Parameters

epsfloat

the precision above which coefficients are not considered degenerate

Returns

list of numpy.ndarraya list of indices

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(self, asarray=False)

An iterator looping over the coefficients in this system

Parameters

asarraybool, optional

if true the yielded values are the coefficient vectors, i.e. a numpy array. Otherwise an equivalent object is yielded.

Yields

coeffCoefficent

the current coefficent as an object, only returned if asarray is false.

coeffnumpy.ndarray

the current the coefficient as an array, only returned if asarray is true.

occupation(self, distribution='bose_einstein')

Calculate the occupations for the states according to a distribution function

Parameters

distributionstr or func, optional

distribution used to find occupations

Returns

numpy.ndarray

len(self) with occupation values

parent

property shape

Returns the shape of the coefficients

sub(self, idx)

Return a new coefficient with only the specified coefficients

Parameters

idxint or array_like

indices that are retained in the returned object

Returns

Coefficient

a new coefficient only containing the requested elements