cold

sisl.physics.cold(E, kT=0.1, mu=0.0)

Cold smearing function, Marzari-Vanderbilt, PRL 82, 16, 1999

\[C(E,k_BT,\mu) = \frac12 + \mathrm{erf}\Big(-\frac{E-\mu}{k_BT}-\frac1{\sqrt2}\Big) + \frac1{\sqrt{2\pi}} \exp\Bigg\{-\Big[\frac{E-\mu}{k_BT}+\frac1{\sqrt2}\Big]^2\Bigg\}\]

Parameters:

E: array_like

energy evaluation points

kT: float, optional

temperature broadening

mu: float, optional

chemical potential

Returns:

numpy.ndarray

the Cold smearing distribution function, same length as E