Table of Contents

PAD Suite Program Code

These are the working versions available for the three programs in the PAD suite. All are based on the original codes from X. Chen and D. K. Saldin reported in Computer Physics Communications 112 (1998). See the short descriptions for each program.

  • pad1.v03.f
    Preparation of Input Data for Cluster Calculation
    Sorting algorithms are used to arrange atoms by their symmetry groups and into a series of concentric shells, creating the cluster.
  • pad2.v03.f
    Multiple Scattering Cluster Calculation
    Evaluate the scattering matrix that relates the wavefunction of an electron immediately after its emission from an atomic core to the wavefield that may be detected outside a sample.
  • pad3.v03.f
    Evaluation of Angle-Resolved Intensities
    Calculate the diffraction intensities capable of being measured in a variety of different experimental configurations.

  • Running the Code Suite
    An example batch script of how to run the three programs.
  • Created: January 03, 2002 --- Last Updated: January 03, 2002
    By Mark D. Pauli