EffectiveMass Enabled [True | False] KPointCoord float_list NumAbove integer NumBelow integer StepSize float End
Type: Block Description: In a semi-conductor, the mobility of electrons and holes is related to the curvature of the bands at the top of the valence band and the bottom of the conduction band. With the effective mass option, this curvature is obtained by numerical differentiation. The estimation is done with the specified step size, and twice the specified step size, and both results are printed to give a hint on the accuracy. The easiest way to use this key is to enabled it without specifying any extra options.
Type: Bool Default value: False Description: Compute the EffectiveMass.
Type: Float List Unit: 1/Bohr Recurring: True Description: Coordinate of the k-points for which you would like to compute the effective mass.
Type: Integer Default value: 1 Description: Number of bands to take into account above the Fermi level.
Type: Integer Default value: 1 Description: Number of bands to take into account below the Fermi level.
Type: Float Default value: 0.001 Description: Size of the step taken in reciprocal space to perform the numerical differentiation