Setup of quantum models
Description of the following routine
See also this part of the documentation for more details.
mod_setup_quantum_models
This subroutine sets up and defines the variables in MODULE
quantum_models. It allocates the POINTERS
sgChargeV(1)%qcV, sgChargeV(2)%qcV in MODULE
quantum_solutions.
(More information here.) The
corresponding Fermi levels in MODULE
fermi_level are allocated and
set to the default value.
The information about the Schrödinger equation is provided by the Input
System via the routines get_models, get_number_schroedinger, get_
deg_schroedinger_el, get_deg_schroedinger_hl, get_sg_el_data, get_sg_hl_data
in MODULE input_quantummodels.
mod_setup_kp_parameters
This subroutine sets up and defines the k.p parameters in MODULE
kp_parameters. The storage format is described in more detail in
storage_of_kp_parameters.
The k.p parameters are provided via the subroutines input_kp_parameters
and input_deformation_pot by the Input System.
allocate_quantum_states
This subroutine sets up and defines the k.p quantum states in MODULE
quantum_solutionsXD.
(More details here.) The corresponding Fermi levels in MODULE
fermi_level are
allocated accordingly and set to the default value. The necessary information is
provided by the subroutine get_kp_data in MODULE input_quantummodels. The
information about number of k_parallel and the density integration is obtained
via subroutine get_dim_BZ_2D
with option calculate_kL=.FALSE.
More information about the
Brillouin
zone integration can be found here.
mod_allocate_one
The arrays in MODULE
fermi_level and MODULE potentials
are allocated and set to the default value. NOTE: In 1D/2D additionally arrays
in MODULE currentXD for storage of current through contacts are
defined. There is also an array for the intrinsic density in MODULE
intrinsic_dens.
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