script_fermi_lines Subroutine

  1. kslice.F90
  2. w90_kslice
  3. script_fermi_lines

private subroutine script_fermi_lines(scriptunit)

Uses

  • proc~~script_fermi_lines~~UsesGraph proc~script_fermi_lines script_fermi_lines module~w90_parameters w90_parameters proc~script_fermi_lines->module~w90_parameters module~w90_io w90_io proc~script_fermi_lines->module~w90_io module~w90_parameters->module~w90_io module~w90_constants w90_constants module~w90_parameters->module~w90_constants module~w90_io->module~w90_constants

Arguments

Type IntentOptional AttributesName
integer, intent(in) :: scriptunit

Called by

proc~~script_fermi_lines~~CalledByGraph proc~script_fermi_lines script_fermi_lines proc~k_slice k_slice proc~k_slice->proc~script_fermi_lines

Contents

Source Code

script_fermi_lines

Source Code

  subroutine script_fermi_lines(scriptunit)

    use w90_io, only: seedname
    use w90_parameters, only: fermi_energy_list

    integer, intent(in) :: scriptunit

    write (scriptunit, '(a)') &
      "# Energy level for isocontours (typically the Fermi level)"
    write (scriptunit, '(a,f12.6)') "ef=", fermi_energy_list(1)
    write (scriptunit, '(a)') " "
    write (scriptunit, '(a)') &
      "bands=np.loadtxt('"//trim(seedname)//"-kslice-bands.dat')"
    write (scriptunit, '(a)') "numbands=bands.size//num_pt"
    write (scriptunit, '(a)') "if square:"
    write (scriptunit, '(a)') &
      "  bbands=bands.reshape((dimy,dimx,numbands))"
    write (scriptunit, '(a)') "  for i in range(numbands):"
    write (scriptunit, '(a)') "    Z=bbands[:,:,i]"
    write (scriptunit, '(a)') "    pl.contour(x_coord,y_coord,Z," &
      //"[ef],colors='black')"
    write (scriptunit, '(a)') "else:"
    write (scriptunit, '(a)') "  bbands=bands.reshape((num_pt," &
      //"numbands))"
    write (scriptunit, '(a)') "  bandint=[]"
    write (scriptunit, '(a)') "  grid_x, grid_y = np.meshgrid(xint,yint)"
    write (scriptunit, '(a)') "  for i in range(numbands):"
    write (scriptunit, '(a)') "    bandint.append(interpolate.griddata" &
      //"((points_x,points_y), bbands[:,i], (grid_x,grid_y), " &
      //"method='nearest'))"
    write (scriptunit, '(a)') "    pl.contour(grid_x,grid_y," &
      //"bandint[i],[ef],colors='black')"

  end subroutine script_fermi_lines