MsSpec-1.0: A multiple scattering package for electron spectroscopies in material science

Abstract We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three ... Title of program: MsSpec-1.0 Catalogue Id: AEJT_v1_0 Nature of problem Calculation of the cross-section of various spectroscopies Versions of this program held in the CPC repository in Mendeley Data AEJT_v1_0; MsSpec-1.0; 10.1016/j.cpc.2011.07.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)