The SSRL Absorption Package
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The Absorption package is a series of fortran routines for calculating anomalous dispersion corrections, atomic form factors and scattering cross sections. The routines for f' and f'' are based on theoretical work of Cromer and Liberman. The Rayleigh and Compton cross-sections are based on McMaster. Hydrogen and Helium data are McMasters for photo-electric effect as well as Rayleigh and Compton. Also available are form factor tables for calculating f(k) using theoretical work of Cromer and Mann. There is a driver program for calculating the absorption of elements, crystals and materials and subroutines for calculating complex structure factors for crystals. Originally written for VMS, the routines are now standard f77. There are several locations for the code. For unix machines, you can find the code at apollo.aps1.anl.gov (18.104.22.168) at the Advanced Photon Source in compressed tar format under the /pub/cross-section_codes directory under the name sb-1.0.tar.Z. Use binary transfer to retrieve the file, and use the unix command % uncompress -c sb-1.0.tar.Z | tar xf - to uncompress and restore the files in the subdirectory ./abs. Then look at the README file which explains how you will use the enclosed makefiles to make a Unix archive library of the files, and how to compile and run the test program tm.f. For the Mac version, you can find the code at ftp.minerals.csiro.au (22.214.171.124) in the directory /pub/xtallography/absorb and look for absorb.sit.hqx For VMS, please contact me directly at the address below.
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