Uniform Grid Files

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The format consists of a grid in the Q = (h, k, l) coordinates, which enumerates the energies and dynamical structure factors per Q point. This format is used by the "Uniform Grid" model source in the resolution convolution module.

The format of these binary files consists of a header, followed by a data block and an index block, which have the following layout:

• Header format:

  • 8 bytes (std::size_t): offset of index block
  • 3*8 bytes (double): data dimensions: hmin, hmax, hstep
  • 3*8 bytes (double): data dimensions: kmin, kmax, kstep
  • 3*8 bytes (double): data dimensions: lmin, lmax, lstep
  • x bytes: metadata header

• Data block format:

  • repeat for each wave vector Q:
    • 4 bytes (unsigned int): number of dispersion branches
      • repeat (number of branches times):
        • 8 bytes (double): energy
        • 8 bytes (double): dynamical structure factor

• Index block format:

  • repeat for each Q = (h, k, l) coordinate:
    • 8 bytes (std::size_t): offset into data block