DOS

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.

See also

sisl.physics.distribution

a selected set of implemented distribution functions

COP

calculate COOP or COHP curves

PDOS

projected DOS (same as this, but projected onto each orbital)

spin_moment

spin moment

Returns:

numpy.ndarray – DOS calculated at energies, has same length as E