The program relies on three parameter files written in YAML. They should all reside inside the input directory.

  • input/param.yml - contains the main parameters, which routines to execute, what type of integration, interpolation etc. to perform and what input files to use.
  • input/bandparam.yml - contains parameters for band generation, the scattering parameters for each band and the parameters to use in the tight binding generation (if that is needed).
  • input/cellparam.yml - contains details of the unit cell, its atoms and the reciprocal sampling density.

In addition if external input files be used they should also be placed in the input folder.