KI7: a program written in vectorial Fortran for the simulation of powder diffraction patterns

Abstract

KI7 is a program written in Fortran77 for the simulation of powder patterns. It performs, by numerical techniques, the spherical averaging of the intensity function relative to a certain structural model. The program is principally applicable to the simulation of powder patterns of ill-ordered materials. The programmed algorithm allows, if a vectorialFortran compiler is available, a considerable improvement in the CPU time with respect to a scalar execution. A version of KI7 exists that is designed for parallel execution on multiprocessor IBM systems.