quantum{ region{ output_gibbs_densities{ } } }#

Added in version 3.0.0.

Calling sequence

quantum{ region{ output_gibbs_densities{ } } }

Properties

  • usage: \(\mathrm{\textcolor{ForestGreen}{optional}}\)

  • items: maximum 1

Functionality

Outputs the carrier density belonging to each quantum solver calculated using Gibbs probability density function

\[P_i =\frac{1}{Z}e^{-\frac{E_i}{k_B T}},\]

where \(P_i\) is the probability of the system being in the state \(i\) with energy \(E_i\), \(k_B\) is the Boltzmann constant, \(T\) is the temperature, and \(Z\) is the partition function

\[Z = \sum_i e^{-\frac{E_i}{k_B T}}.\]

Related data is stored in bias_*/Quantum/<quantum_region_name>/<band_model>/gibs_density.fld.

Warning

This feature is currently implemented only for a single particle expressed by 1-band and 6-band models in 3D.