zero_negative_masses#

Added in version 3.0.0.

Calling sequence

classical{ zero_negative_masses = "..." }

Properties

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

  • type: choice

  • values: yes or no

  • default: no

Functionality

Whic keyword controls handling regions with negative effective masses in semiclassical runs. When set to yes then such effective masses are set to zero, which results in corresponding bands to not contribute to the density of states in the semicalssical run. Otherwise, an error is thrown informing that negative mass is present in the simulaiton.