cold¶
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sisl.physics.cold(E, kT=0.1, mu=0.0)[source]¶ 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
- Earray_like
energy evaluation points
- kTfloat, optional
temperature broadening
- mufloat, optional
chemical potential
- Returns
- numpy.ndarray
the Cold smearing distribution function, same length as E