w90_readwrite_read_mp_grid Subroutine

public subroutine w90_readwrite_read_mp_grid(settings, pw90_effective_model, mp_grid, num_kpts, error, comm)

Uses

  • proc~~w90_readwrite_read_mp_grid~~UsesGraph proc~w90_readwrite_read_mp_grid w90_readwrite_read_mp_grid module~w90_error w90_error proc~w90_readwrite_read_mp_grid->module~w90_error module~w90_comms w90_comms module~w90_error->module~w90_comms module~w90_error_base w90_error_base module~w90_error->module~w90_error_base module~w90_comms->module~w90_error_base module~w90_constants w90_constants module~w90_comms->module~w90_constants

Read the mandatory k-point mesh input ("mp_grid")

Arguments

Type IntentOptional Attributes Name
type(settings_type), intent(inout) :: settings
logical, intent(in) :: pw90_effective_model
integer, intent(inout) :: mp_grid(3)
integer, intent(inout) :: num_kpts
type(w90_error_type), intent(out), allocatable :: error
type(w90_comm_type), intent(in) :: comm

Calls

proc~~w90_readwrite_read_mp_grid~~CallsGraph proc~w90_readwrite_read_mp_grid w90_readwrite_read_mp_grid proc~set_error_input set_error_input proc~w90_readwrite_read_mp_grid->proc~set_error_input proc~w90_readwrite_get_keyword_vector w90_readwrite_get_keyword_vector proc~w90_readwrite_read_mp_grid->proc~w90_readwrite_get_keyword_vector proc~comms_sync_error comms_sync_error proc~set_error_input->proc~comms_sync_error proc~set_base_error set_base_error proc~set_error_input->proc~set_base_error proc~w90_readwrite_get_keyword_vector->proc~set_error_input proc~set_error_fatal set_error_fatal proc~w90_readwrite_get_keyword_vector->proc~set_error_fatal proc~set_error_fatal->proc~comms_sync_error proc~set_error_fatal->proc~set_base_error

Called by

proc~~w90_readwrite_read_mp_grid~~CalledByGraph proc~w90_readwrite_read_mp_grid w90_readwrite_read_mp_grid proc~w90_postw90_readwrite_read w90_postw90_readwrite_read proc~w90_postw90_readwrite_read->proc~w90_readwrite_read_mp_grid proc~w90_wannier90_readwrite_read_special w90_wannier90_readwrite_read_special proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_mp_grid proc~input_reader_special input_reader_special proc~input_reader_special->proc~w90_wannier90_readwrite_read_special proc~w90_input_setopt w90_input_setopt proc~w90_input_setopt->proc~w90_wannier90_readwrite_read_special program~postw90 postw90 program~postw90->proc~w90_postw90_readwrite_read proc~w90_input_setopt_f w90_input_setopt_f proc~w90_input_setopt_f->proc~w90_input_setopt program~wannier wannier program~wannier->proc~input_reader_special

Source Code

  subroutine w90_readwrite_read_mp_grid(settings, pw90_effective_model, mp_grid, num_kpts, error, &
                                        comm)
    !! Read the mandatory k-point mesh input ("mp_grid")
    use w90_error, only: w90_error_type, set_error_input
    implicit none

    integer, intent(inout) :: mp_grid(3), num_kpts
    logical, intent(in) :: pw90_effective_model
    type(settings_type), intent(inout) :: settings
    type(w90_comm_type), intent(in) :: comm
    type(w90_error_type), allocatable, intent(out) :: error

    integer :: iv_temp(3)
    logical :: found

    call w90_readwrite_get_keyword_vector(settings, 'mp_grid', found, 3, error, comm, &
                                          i_value=iv_temp)
    if (allocated(error)) return

    ! ignored in pw90_effective_model case
    if (.not. pw90_effective_model) then
      if (found) mp_grid = iv_temp
      if (.not. found) then
        call set_error_input(error, &
                             'Error: You must specify dimensions of the Monkhorst-Pack grid by setting mp_grid', comm)
        return
      elseif (any(mp_grid < 1)) then
        call set_error_input(error, 'Error: mp_grid must be greater than zero', comm)
        return
      end if
      num_kpts = mp_grid(1)*mp_grid(2)*mp_grid(3)
    end if
  end subroutine w90_readwrite_read_mp_grid