ATOMS on the Web

ATOMS is a program for generating lists of atomic coordinates from crystallographic data. The primary use of ATOMS is to create input files suitable for running the ab initio XAFS program FEFF, however several other interesting output formats are available.

This web page demonstrates the main features of ATOMS. It consists of a rather large form which you may fill in with data describing your crystal. You may also search a database of input data for ATOMS. After clicking the "Run Atoms" button, your browser will display an input file suitable for running FEFF (or perhaps some other kind of interesting output file). You can get help about any of the parameters by following the link bound to the parameter name.

This web page does not offer all the features available in the version of ATOMS which you can run on your own computer. Please see the ATOMS homepage for complete details.


Titles
Operational Parameters
Space
Group:
Rmax: Edge:
Output
Type:
Shift:
Lattice Constants and Angles
A: B: C:
Alpha: Beta: Gamma:

Table of Crystallographic Sites
Cent. Element X Y Z Tag
Redisplay with this many sites: Explain

WebATOMS version 1.8 (Atoms 3.0beta10) (3 February, 2005)
ATOMS is copyright © 1998-2005 Bruce Ravel
ATOMS homepage
Bruce's homepage