> FEFF 7.02 Example Files

FEFF 7.02 Example Files

The files linked on this page are the input and output files from an example run of FEFF 7.02. The input file, feff.inp, contains instructions for running all four modules of FEFF to produce the XAFS due to the first four shells of pure copper.

feff.inp: This is the input file for the example run.

paths.dat: This file contains the geometrical information about all multiple scattering paths found within the cluster specified in the atoms list of the input file. All of the paths in this file are have a total path length shorter than the value of RMAX specified in the input file.

chi.dat: This file contains the total chi as a function of k calculated from the cluster specified in the input file. It is the sum of the contributions of the individual path files.

xmu.dat: This file contains the background function, chi, and the total absorption spectrum for the cluster specified in the input file.

list.dat: This file contains the list of paths used to calculate chi, curved wave importance factors, and user-defined Debye-Waller factors.

log.dat: This file contains a copy of the information printed out on the screen during the run. The file is useful for diagnostic purposes.

All of the files linked on this page are available bundled together in compressed archives.

Unix archive

This file is tarred and gzipped. 14 kb. To unload the files in this archive, type

gunzip example702.tar.gz

then

 tar xvf example702.tar

at the command line. If you use the GNU version of tar, the command

tar xvfz example702.tar.gz

will untar the files with on-the-fly decompression.

Archive for DOS and other computers

This file is a zipped archive. 15 kb. To unpack the files type the command

unzip r example702.zip

at the DOS prompt. Look at The Info-Zip page for information about using the zip format on your computer.