param_uppercase Subroutine

private subroutine param_uppercase()

Convert a few things to uppercase to look nice in the output

Arguments

None

Called by

proc~~param_uppercase~~CalledByGraph proc~param_uppercase param_uppercase proc~param_read param_read proc~param_read->proc~param_uppercase program~wannier wannier program~wannier->proc~param_read proc~wannier_run wannier_run proc~wannier_run->proc~param_read proc~wannier_setup wannier_setup proc~wannier_setup->proc~param_read program~postw90 postw90 program~postw90->proc~param_read

Contents

Source Code


Source Code

  subroutine param_uppercase
    !===================================================================
    !                                                                  !
    !! Convert a few things to uppercase to look nice in the output
    !                                                                  !
    !===================================================================

    implicit none

    integer :: nsp, ic, loop, inner_loop

    ! Atom labels (eg, si --> Si)
    do nsp = 1, num_species
      ic = ichar(atoms_label(nsp) (1:1))
      if ((ic .ge. ichar('a')) .and. (ic .le. ichar('z'))) &
        atoms_label(nsp) (1:1) = char(ic + ichar('Z') - ichar('z'))
    enddo

    do nsp = 1, num_species
      ic = ichar(atoms_symbol(nsp) (1:1))
      if ((ic .ge. ichar('a')) .and. (ic .le. ichar('z'))) &
        atoms_symbol(nsp) (1:1) = char(ic + ichar('Z') - ichar('z'))
    enddo

    ! Bands labels (eg, x --> X)
    do loop = 1, bands_num_spec_points
      do inner_loop = 1, len(bands_label(loop))
        ic = ichar(bands_label(loop) (inner_loop:inner_loop))
        if ((ic .ge. ichar('a')) .and. (ic .le. ichar('z'))) &
          bands_label(loop) (inner_loop:inner_loop) = char(ic + ichar('Z') - ichar('z'))
      enddo
    enddo

    ! Length unit (ang --> Ang, bohr --> Bohr)
    ic = ichar(length_unit(1:1))
    if ((ic .ge. ichar('a')) .and. (ic .le. ichar('z'))) &
      length_unit(1:1) = char(ic + ichar('Z') - ichar('z'))

    return

  end subroutine param_uppercase