CROMER for Windows

CROMER for Windows



This program calculates f' f" and photon interaction cross sections in
barns/atom for the elements Hydrogen to Uranium at arbitary x-ray wavelengths.
It is based on the Cromer-Liberman method using a Kissel-Pratt correction
(see L. Kissel & R. H. Pratt, Acta Cryst A46 (1990), 170). The Fortran code
for these calculations was written by Sean Brennan and is available from
the web-site
ftp://apollo.apsi.anl.gov/pub/cross-section_codes/
If the WRITE DISP button is pressed then a SHELX-style DISP instruction for the currently selected element is written to the file DISP.OUT. These instructions should be inserted between the SFAC and UNIT instructions in the SHELX instruction file. This will be necessary to provide SHELX with the correct values of f' f" and photon interaction cross sections for wavelengths other than MoKalpha, CuKalpha and AgKalpha (e.g. from synchrotron sources) If the PLOT button is pressed the values of f' and f" for common wavelength ranges are displayed graphically for the selected element (except H and He). L.J. Farrugia July 10th, 2002