kpoint_path_type Derived Type

type, public :: kpoint_path_type

================================================== Contains information that specifies the k-point path for plotting and other purposes. Note: The length of bands_label and the second index of bands_spec_points is twice the number of segments specified by the user. Each pair of special points defines a segment. ==================================================


Inherited by

type~~kpoint_path_type~~InheritedByGraph type~kpoint_path_type kpoint_path_type type~lib_common_type lib_common_type type~lib_common_type->type~kpoint_path_type kpoint_path

Components

Type Visibility Attributes Name Initial
integer, public :: num_points_first_segment = 100
character(len=20), public, allocatable :: labels(:)
real(kind=dp), public, allocatable :: points(:,:)
logical, public :: bands_kpt_explicit = .false.
real(kind=dp), public, allocatable :: bands_kpt_frac(:,:)

Source Code

  type kpoint_path_type
    !!==================================================
    !! Contains information that specifies the k-point path for plotting and other purposes.
    !! Note: The length of bands_label and the second index of bands_spec_points is twice the
    !! number of segments specified by the user. Each pair of special points defines a segment.
    !!==================================================
    integer :: num_points_first_segment = 100
    character(len=20), allocatable :: labels(:)
    real(kind=dp), allocatable :: points(:, :)
    logical :: bands_kpt_explicit = .false. ! use user provided list of kpoints for bands kpath
    real(kind=dp), allocatable ::bands_kpt_frac(:, :) ! explicit bands kpoints in fractional coordinate
  end type kpoint_path_type