DIFFKK is a computer program that uses x-ray absorption fine-structure (XAFS) spectra to calculate x-ray anomalous scattering factors near x-ray resonances. Input XAFS spectra (either theoretical or experimental) are used to improve bare atom scattering factors near the absorption edge. Standard tables of anomalous scattering factors from Cromer and Liberman are used for the bare atomic scattering factors. DIFFKK has special support for theoretical XAFS calculations from FEFF.
| Note: The latest version of the DIFFKK source is now included with IFEFFIT, and automatically builds and installs with it.
The source distribution here: diffkk.tar.gz (gzipped tar file) contains the slightly older source code, Unix Makefile, examples, and documentation (both postscript and pdf formats).
|Either get IFEFFIT, or download the source distribution here: diffkk_src.tar.gz (gzipped tar file of all source code, with Unix Makefile).|
|diffkk.f single source file DIFFKK|
|deltaf.f single source file DELTAF|
|diffkk.pdf: hypertext PDF (use Adobe's Acrobat Reader)|
|poster.pdf: This poster, presented at the meeting of the American Crystallographic Association in Washington, DC, July 1998, and at the XAFS X conference in Chicago, Aug 1998, gives an overview of method and some examples.|
|diffkk_eg.tar.gz: All example files in a single gzipped tar file.|
|dk-exp.inp: diffkk.inp file for Cu XAFS example.|
|cu_exp.xmu: Cu metal XAFS data.|
|exp.fpp: Cu XAFS output file -- f'(E) and f''(E).|
|dk-feff.inp: diffkk.inp file for FEFF xmu.dat example.|
|xmu.dat: FEFF xmu.dat for Cu(1) site of YBCO.|
|feff.inp: FEFF input file for generating xmu.dat for the Cu(1) site of YBCO.|
|feff.fpp: FEFF xmu.dat output file -- f'(E) and f''(E) for the Cu(1) site of YBCO.|