UWXAFS and FEFF Documents
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UWXAFS and FEFF Documents

Documents for the UWXAFS programs are available in three of formats: HTML, PostScript and unformatted ascii. All Web browsers can display the hypertext (HTML) versions of the documentation. Many graphical web browsers may be configured to directly display PostScript. The ASCII versions are for simple display without a Web browser or other sophisticated textual tool.

[***] The UWXAFS Analysis Package: Philosophy and Details

This is a paper written by Edward A. Stern, et al. for the XAFS VIII conference held in Berlin, Germany in July 1994. It provides a nice overview of the UWXAFS Project. The citation for this paper is Physica B, v.208&209, pp. 117-120 (1995)

[***] UWXAFS3, an overview of the programs

[***] Feffit

Feffit fits Chi(k) data to the theoretical calculations of FEFF, and assesses the errors in the fitting parameters. The fitting is done in R-space, which allows spatial selection of the interesting and accessible contributions to the XAFS. The program allows the user to modify the FEFF calculations in a variety of ways so that the user can model many different types of systems.

[***] Atoms

Atoms interprets crystallographic information and writes an input file for FEFF. It also calculates several experimental absorption corrections to XAFS data.

[***] Autobk

Autobk evaluates and removes the background of raw absorption data, converting absorption, mu(E), to XAFS, Chi(k). The algorithm chooses the background that minimizes the low-R components of Chi(R), the Fourier Transform of Chi(k).

[***] Ratio

Ratio evaluates the log-ratio of isolated shell chi(k) data and determines the cumulants of the distribution function.

[***] File Handling

This document describes the handling of data files in the UWXAFS programs. Included are detais on the UWXAFS binary format and the column data format.

[***] PC installation instructions

This document is sent in both hardcopy and electronic form to our customers who request diskettes rather than Internet access to our software. The information in this document either pertains specifically to using our programs on DOS based personal computers or is culled from other places on this Web site.

[***] Feff

Ab initio multiple scattering X-ray Absorption Fine Structure and X-ray Absorption Near Edge Structure code.

[***] Archived Documentation

Here is the program documentation in the form of archived and compressed files. The Unix version used tar and gzip. The DOS version used PKZIP. Use the d command line switch with zip to preserve the directory structure. This archive file format can be extracted by tools native to many file systems. Look at The Info-Zip page for information about using the zip format on your computer. These archives contain the PostScript versions of most documents and the plain ascii versions of the ratio document.

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