cold

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

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

\[\begin{split}C(E,k_BT,\mu) = \frac12 &+ \mathrm{erf}\Big(-\frac{E-\mu}{k_BT}-\frac1{\sqrt2}\Big) \\ &+ \frac1{\sqrt{2\pi}} \exp\Bigg\{-\Big[\frac{E-\mu}{k_BT}+\frac1{\sqrt2}\Big]^2\Bigg\}\end{split}\]
Parameters
  • E (array_like) – energy evaluation points

  • kT (float, optional) – temperature broadening

  • mu (float, optional) – chemical potential

Returns

the Cold smearing distribution function, same length as E

Return type

numpy.ndarray