vibeqc.DensityOfStates

class vibeqc.DensityOfStates(energies, dos, sigma, e_fermi=None)

Bases: object

Total density of states.

energies is the energy grid (Hartree). dos is the Gaussian-broadened state count per energy unit per unit cell:

dos(ε) = (1 / N_k) · Σ_{k, n} w_k · g(ε − ε_n(k))

with g a unit-area Gaussian of width sigma. The integral of dos over all energy equals n_bands (every state contributes one).

Parameters:

• energies (ndarray)

• dos (ndarray)

• sigma (float)

• e_fermi (float | None)

__init__(energies, dos, sigma, e_fermi=None)

Parameters:

• energies (ndarray)

• dos (ndarray)

• sigma (float)

• e_fermi (float | None)

Return type:

None

Methods

__init__(energies, dos, sigma[, e_fermi])
shifted_energies()

Attributes

e_fermi
energies
dos
sigma

energies: ndarray

dos: ndarray

sigma: float

e_fermi: float | None = None

shifted_energies()

Return type:

ndarray