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k-range-determination-methods

Makes only sense for k.p calculations in 1D and 2D.

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

Syntax

model-name        = bulk-dispersion-analysis
model-type-number = 1
The range for k|| is determined automatically by the program.
More information ...

model-name        = k-max-input
model-type-number = 2

A range for k|| has to be specified in the input file (Units: 1/Angstrom).
1) Solve Schrödinger equation for  [ kx, ky ] = [ 0, 0 ]
2) Define a set of k|| that one needs and solve k.p Schrödinger equation for every k||.
3) Write everything out.

 

This also applies to 2D but does not make sense for 3D.

1D: [ kx, ky ]

2D: [ kz]

   
Last modified: 09-Jun-2011