$k-range-determination-methods

This makes only sense for $\mathbf{k}\cdot \mathbf{p}$ calculations in 1D ($k_{\parallel }=(k_x,k_y)$) and 2D ($k_{\parallel }=(k_z)$) but not in 3D.

1. Solve Schrödinger equation for $(k_x,k_y)=(0,0)$.

2. Define a set of $k_{\parallel }$ that one needs and solve $\mathbf{k}\cdot \mathbf{p}$ Schrödinger equation for every $k_{\parallel }$.

$k-range-determination-methods                   required
 model-name                          character   required
 model-type-number                   integer     required
$end_k-range-determination-methods

Two models are supported.

model-name

value:

bulk-dispersion-analysis

model-type-number

value:

1

Here, the range for $k_{\parallel }$ is determined automatically by the program using the bulk energy dispersion $E(k)$. More information…

model-name

value:

k-max-input

model-type-number

value:

2

A maximum value $k_{\text{max}}$ of $k_{\parallel }$ has to be specified in the input file.

Example

!---------------------------------------------!
$k-range-determination-methods
 model-name        = bulk-dispersion-analysis
 model-type-number = 1

 model-name        = k-max-input
 model-type-number = 2
$end_k-range-determination-methods
!---------------------------------------------!