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
Attributes
The data-type of the coefficient (in str)
Data-type for the coefficients
Eigenmode values in units of \(\hbar \omega\) [eV]
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.
- copy() Coefficient
Return a copy (only the coefficients are copied).
parent
andinfo
are passed by reference
- degenerate(atol: float)
Find degenerate coefficients with a specified precision
- Parameters:
atol – the precision above which coefficients are not considered degenerate
- Returns:
list
ofnumpy.ndarray
– a list of indices
- 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
orfunc
, optional) – distribution used to find occupations- Returns:
numpy.ndarray
–len(self)
with occupation values
- remove(index: sisl.typing.SimpleIndex, inplace: bool = False) Coefficient | None
Return a new coefficient without the specified coefficients
- Parameters:
index – indices that are removed in the returned object
inplace – whether the values will be removed inplace
- Returns:
Coefficient
– a new coefficient without containing the requested elements
- sub(index: sisl.typing.SimpleIndex, inplace: bool = False) Coefficient | None
Return a new coefficient with only the specified coefficients
- Parameters:
index – indices that are retained in the returned object
inplace – whether the values will be retained inplace
- Returns:
Coefficient
– a new coefficient only containing the requested elements, only if inplace is false
- c
- 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
- parent
- property shape
Returns the shape of the coefficients