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EXPGUI Tutorial: Garnet (part 9)

9. Compute Bond Distances and Angles

The next section of the tutorial in the GSAS manual shows how to compute a Fourier map. Other than the minor change of pressing menu buttons to invoke the programs when using EXPGUI, the steps are unchanged so this is not repeated here. Note that the "Fobs Extraction flag" is set on the LS controls pane and the le Bail extraction modes (GSAS now has two such modes) can also be set from from this pane.

EXPGUI offers two modes when running DISAGL to generate the atomic distances and angles. In the default mode, the DISAGL results are placed in a separate window similar (see below). The traditional mode, where DISAGL results are placed in the .LST file can be obtained by unchecking the Options/Use DISAGL Window menu option. In either mode, DISAGL is invoked from the Results/DISAGL menu.

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Top: Introduction

Brian Toby (Brian.Toby@NIST.GOV)
$Revision: 176 $ $Date: 2009-12-04 23:01:40 +0000 (Fri, 04 Dec 2009) $