A FORTRAN-90 low-energy electron diffraction program (LEED90 v1.1)Blancorey, M., de Andres, P., Held, G. and King, D. (2004) A FORTRAN-90 low-energy electron diffraction program (LEED90 v1.1). Computer Physics Communications, 161 (3). pp. 151-165. ISSN 0010-4655 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1016/j.cpc.2004.05.002 Abstract/SummaryWe describe a FORTRAN-90 program to compute low-energy electron diffraction I(V) curves. Plane-waves and layer doubling are used to compute the inter-layer multiple-scattering, while the intra-layer multiple-scattering is computed in the standard way expanding the wavefield on a basis of spherical waves. The program is kept as general as possible, in order to allow testing different parts of multiple-scattering calculations. In particular, it can handle non-diagonal t-matrices describing the scattering of non-spherical potentials, anisotropic vibrations, anharmonicity, etc. The program does not use old FORTRAN flavours, and has been written keeping in mind the advantage for parallelism brought forward by FORTRAN-90.
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