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