EigenvalueElectron¶
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class
sisl.physics.
EigenvalueElectron
(c, parent=None, **info)[source]¶ Eigenvalues of electronic states, no eigenvectors 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 eig
info
parent
shape
Returns the shape of the coefficients Methods
DOS
(E[, distribution])Calculate DOS for provided energies, E. __init__
(c[, parent])Initialize self. 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')[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.
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c
¶
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copy
()¶ Return a copy (only the coefficients are copied).
parent
andinfo
are passed by reference
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degenerate
(eps)¶ Find degenerate coefficients with a specified precision
Parameters: - eps : float
the precision above which coefficients are not considered degenerate
Returns: - list of numpy.ndarray: a list of indices
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dkind
¶ The data-type of the coefficient (in str)
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dtype
¶ Data-type for the coefficients
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eig
¶
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info
¶
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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.
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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: - numpy.ndarray : len(self) with occupation values
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parent
¶
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shape
¶ Returns the shape of the coefficients
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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: - Coefficient
a new coefficient only containing the requested elements
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