Also refer to : Including Fourier Peaks in Disang to help in building up structures
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To: Rietveld_l@ill.fr
From: "Antonio M. Santos" [antonio@mrl.ucsb.edu]
Date: Mon, 18 Mar 2002 22:10:18 -0800
Subject: Disagl
To the rietveld mailing list
I am trying to use the disagl routine from the PC-GSAS suite in order
calculate some bond distances and angles. I can use all the routines
(like Pubables, Geometry, HKLsort) so it seems that the suite is
properly installed, but Disagl only adds to my LST file the following
lines
|-------------------------------------------------------------------|
| Program DISAGL Version Win32 |
| Crystal structure distance and angle program |
| Distributed on Mon Mar 18 18:35:55 2002 |
|--------------------------------------------------------------------|
|---------------------------------------------------------------------------------------------|
| Allen C. Larson and Robert B. Von Dreele |
| Manuel Lujan, Jr. Neutron Scattering Center, MS-H805 |
| Los Alamos National Laboratory, Los Alamos, NM 87545 |
| |
| Copyright, 2000, The Regents of the University of California. |
| |
|---------------------------------------------------------------------------------------------|
The last history record is :
HSTRY207 GENLES Win32 Mar 18 18:38:39 2002
NCYCLE on the .CMT file is 420
NCYCLE for last GENLES is 423
And on the dos window this message shows up:
C:\GSAS\Jap_Data\20K>echo off
STOP DISAGL successful completion statement executed
Press any key to continue . . .
Does anyone know how can I get the actual bonds and angles of my
structure?
Thank you for your help
Antonio Santos
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Date: Tue, 19 Mar 2002 10:17:11 +0100 To: rietveld_l@ill.fr From: Jonathan WRIGHT [wright@esrf.fr] Subject: Re: Disagl >properly installed, but Disagl only adds to my LST file the following >lines You need to switch the calculation on, in expedt hit "d" for distance angle calculation set up and then "d" again to edit the distance angle control routines. Should be self explanatory from there. Hope this helps, Jon |