UWXAFS3.0: Description

Description

UWXAFS3.0 is a set of XAFS data analysis programs for determining first and more distant coordination shell parameters. The determination of more distant atom distributions includes multiple scatterings contributions. The UWXAFS3.0 code analyzes the data by removing a background using a new, improved, automated program and then by fitting to Feff calculations in k-space, R-space, or backtransformed k-space. When only one type of atom is in a given shell the data can also be analyzed by the log-ratio method. The package has integrated error analysis procedures. The Feff software has to be purchased separately. Please contact Prof. John Rehr, Physics Dept. FM-15, University of Washington, Seattle, WA 98115, U.S.A., for information on Feff software.

System Requirements

The UWXAFS3.0 programs are written in FORTRAN, and the 1977 ANSI Standard has been followed fairly closely. Since Source code is shipped, target machines should have an appropriate FORTRAN compiler. If the user does not have access to a compiler, we may be able to ship executable codes. UWXAFS3.0 codes have been tested and run on many platforms, including Vax-VMS, various Unixes, MS-DOS, and MacIntosh System 7.5. The programs are written mostly with single precision arithmetic. Known extensions to the ANSI standard include use of the ASCII character set, and use of INTEGER*2 and COMPLEX*16 variables. There is one machine-dependent parameter in the codes, used for writing binary data files. VMS users should read the VMS document on this site. PC users should have a 386 or higher processor and a math coprocessor. Math coprocessors are recommended for MacIntosh users, as well.