EigenvaluePhonon

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

Bases: sisl.physics.phonon.CoefficientPhonon

Eigenvalues of phonon modes, no eigenmodes retained

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

Attributes

__doc__
__module__
__slots__
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(E[, distribution])	Calculate DOS for provided energies, E.
__delattr__	Implement delattr(self, name).
__dir__	Default dir() implementation.
__eq__	Return self==value.
__format__	Default object formatter.
__ge__	Return self>=value.
__getattribute__	Return getattr(self, name).
__getitem__(key)	Return a new coefficient object with only one associated coefficient
__gt__	Return self>value.
__hash__	Return hash(self).
__init__(c[, parent])	Initialize self.
__init_subclass__	This method is called when a class is subclassed.
__iter__([asarray])	An iterator looping over the coefficients in this system
__le__	Return self<=value.
__len__()	Number of coefficients
__lt__	Return self<value.
__ne__	Return self!=value.
__new__	Create and return a new object.
__reduce__	Helper for pickle.
__reduce_ex__	Helper for pickle.
__repr__	Return repr(self).
__setattr__	Implement setattr(self, name, value).
__sizeof__	Size of object in memory, in bytes.
__str__()	The string representation of this object
__subclasshook__	Abstract classes can override this to customize issubclass().
_sanitize_index(idx)	Ensure indices are transferred to acceptable integers
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
sub(idx)	Return a new coefficient with only the specified coefficients

DOS(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()

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

degenerate(eps)

Find degenerate coefficients with a specified precision

Parameters

eps (float) – 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 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')

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

property shape

Returns the shape of the coefficients

sub(idx)

Return a new coefficient with only the specified coefficients

Parameters

idx (int or array_like) – indices that are retained in the returned object

Returns

a new coefficient only containing the requested elements

Return type

Coefficient