DS intensity plane from Volume cut:ΒΆ

The script show_TDS_IntensityPlaneFromVolume shows 2D cuts from a 3D TDS intensities distribution calculation.

  • symmetrisation
  • Fourier transform
  • Debye waller calculation for the temperature of choice
  • 3D intensity distribution of TDS

  • The usage is

    show_TDS_IntensityPlaneFromVolume IntensityVolume_xxx\_.h5

    The file IntensityVolume_xxx_.h5 must contain the results from a make_TDS_intensityVolume calculation.

  • The input_file must set the variables :

    • Mandatories

      • redA
      • redB
      • redC
      • Nqs
      • DQ
      • Saturation
      • Saturation_min

    • Optional

      • COLOR

The input variables are documented with docstrings below

show_TDS_IntensityPlaneFromVolume.redA = [1.0, 1.0, 0.0]
  1. q-point defining plane
show_TDS_IntensityPlaneFromVolume.redB = [0.0, 0.0, 0.0]
  1. q-point defining plane
show_TDS_IntensityPlaneFromVolume.Nqs = 20

Number of q-points along one axis

show_TDS_IntensityPlaneFromVolume.DQ = 0.1

q-resolution in 1/Ang

show_TDS_IntensityPlaneFromVolume.Saturation = 0.1

To limit intensity at peaks: intensity is saturated at this value

show_TDS_IntensityPlaneFromVolume.Saturation_min = 1e-07

To limit intensity at peaks : intensity is saturated at this value

show_TDS_IntensityPlaneFromVolume.COLOR = 1

Intensity in color or grayscale