A SUITE OF PROGRAMS FOR CALCULATING X-RAY ABSORPTION, REFLECTION, AND DIFFRACTION PERFORMANCE FOR A VARIETY OF MATERIALS AT ARBITRARY WAVELENGTHS

One of the most useful characteristics of synchrotron radiation is the wide spectral distribution of the source. For applications involving tuned monochromatic beams it is often helpful to predict the x-ray optical characteristics of a sample or the beam line optics at a particular wavelength. In contrast to this desire stands the fact that tabulated values for the optical parameters of interest are generally available only at wavelengths corresponding to typical x-ray tube sources. We have developed a suite of FORTRAN programs which calculate photoabsorption cross sections and atomic scattering factors for materials of arbitrary, uniform composition or for arbitrary layered materials. Further, the suite includes programs for calculation of x-ray diffraction or reflection from such materials. These programs are of use for experimental planning, data analysis, and predictions of performance of beam line optical elements.