DOS¶
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sisl.physics.electron.
DOS
(E, eig, distribution='gaussian')[source]¶ Calculate the density of states (DOS) for a set of energies, E, with a distribution function
The \(\mathrm{DOS}(E)\) is calculated as:
\[\mathrm{DOS}(E) = \sum_i D(E-\epsilon_i) \approx\delta(E-\epsilon_i)\]where \(D(\Delta E)\) is the distribution function used. Note that the distribution function used may be a user-defined function. Alternatively a distribution function may be retrieved from
distribution
.Parameters: - E : array_like
energies to calculate the DOS at
- eig : array_like
electronic eigenvalues
- distribution : func or str, optional
a function that accepts \(\Delta E\) as argument and calculates the distribution function.
Returns: - numpy.ndarray : DOS calculated at energies, has same length as E
See also
sisl.physics.distribution
- a selected set of implemented distribution functions
PDOS
- projected DOS (same as this, but projected onto each orbital)
spin_moment
- spin moment for states