To calculate to calculate diffraction profiles of perfect and mosaic crystals. It allows Bragg and Laue geometries and (in the case of perfect crystals) diffracted and transmitted intensity calculations. The diffracted intensity can be calculated as a function of either rock angle or photon energy.
It uses the DABAX database to define the crystal structure and to retrieve the scattering factors to build the crystal structure factors.
Numerical calculations are done using the Fortran code diff_pat.f
A model for the thermal parameter is calculated using debyewaller.pro