Preliminary steps to be performed for computing IXS spectras and TDS intensities :

• PRELIMINARY STEPS

The following steps are mandatory for the calculation of scattering intensities. They must be done once and their results are stored automatically in a hdf5 file. Subsequent calculations will use the saved results. The Debye-Waller factors calculation must be performed for each temperature of interest.

• Reconstruction of first Brillouin zone
• Calculation of Debye-Waller factors
• Fourier Interpolation on Dynamical matrix