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] |