Effective Mass

EffectiveMass
   Enabled [True | False]
   KPointCoord float_list
   NumAbove integer
   NumBelow integer
   StepSize float
End
EffectiveMass
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.
Enabled
Type:Bool
Default value:False
Description:Compute the EffectiveMass.
KPointCoord
Type:Float List
Unit:1/Bohr
Recurring:True
Description:Coordinate of the k-points for which you would like to compute the effective mass.
NumAbove
Type:Integer
Default value:1
Description:Number of bands to take into account above the Fermi level.
NumBelow
Type:Integer
Default value:1
Description:Number of bands to take into account below the Fermi level.
StepSize
Type:Float
Default value:0.001
Description:Size of the step taken in reciprocal space to perform the numerical differentiation