wannier_data_type Derived Type

type, public :: wannier_data_type

================================================== Contains the centres and spreads of the MLWFs ==================================================


Inherited by

type~~wannier_data_type~~InheritedByGraph type~wannier_data_type wannier_data_type type~lib_common_type lib_common_type type~lib_common_type->type~wannier_data_type wannier_data

Components

Type Visibility Attributes Name Initial
real(kind=dp), public, allocatable :: centres(:,:)
real(kind=dp), public, allocatable :: spreads(:)

Source Code

  type wannier_data_type
    !!==================================================
    !! Contains the centres and spreads of the MLWFs
    !!==================================================
    ! Wannier centres and spreads
    real(kind=dp), allocatable :: centres(:, :)
    real(kind=dp), allocatable :: spreads(:)
    ! REVIEW_2021-07-22: Do we want to expose other related variables such as the decomposition
    ! REVIEW_2021-07-22: of the spread, matrix elements of r and r^2, etc. (TO FINISH)
  end type wannier_data_type