real_space_ham_type Derived Type

  type real_space_ham_type
    !!==================================================
    !! Contains information to control the structure of the real-space Hamiltonian
    !! and how it is calculated.
    !!==================================================
    real(kind=dp) :: hr_cutoff = 0.0_dp !plot and transport
    ! dist_cutoff - only plot and transport
    real(kind=dp) :: dist_cutoff = 1000.0_dp !plot and transport
    character(len=20) :: dist_cutoff_mode = 'three_dim' !plot and transport
    real(kind=dp) :: dist_cutoff_hc = 1000.0_dp !plot and transport
    integer :: one_dim_dir = 0 ! transport and plot
    ! REVIEW_2021-07-22: system_dim is really providing information about the dimensionality
    ! REVIEW_2021-07-22: of the system. Whilst currently it is only used for plotting, its
    ! REVIEW_2021-07-22: use may be generalised in the future. Therefore it makes more sense
    ! REVIEW_2021-07-22: to put it here.
    integer :: system_dim = 3
    ! REVIEW_2021-07-22: There's been some discussion in the past about generalising
    ! REVIEW_2021-07-22: the use of translate_home_cell to also take into account of
    ! REVIEW_2021-07-22: changes in H(R) when WFs are translated. As this is something
    ! REVIEW_2021-07-22: we plan to do, translate_home_cell should probably be here
    logical :: translate_home_cell = .false. ! currently used by wann_write_xyz when write_xyz=.true.
    ! REVIEW_2021-08-09: future plan is that these variables (translation_centre_frac and
    ! REVIEW_2021-08-09: automatic_translation will also result in the hamiltonian being
    ! REVIEW_2021-08-09: modified to be consistent with the translated Wannier centres.
    ! REVIEW_2021-08-09: This is related to Issue 39 in the main repo.
    real(kind=dp) :: translation_centre_frac(3) = 0.0_dp
    ! For Hamiltonian matrix in WF representation
    logical              :: automatic_translation = .true.
  end type real_space_ham_type