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Tutorials and Examples

LMGP suite for Windows by Jean Laugier and Bernard Bochu

Basic Demonstration of Poudrix using the new Wgetspec subroutine

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [LMGP Suite Index]

Powdrix: Powder Pattern Calculation of Synchrotron/Laboratory X-ray and Neutron Powder Diffraction Patterns including the ability to use either "Brenann and Cowan or Sasaki" Anomalous Dispersion data to calculate the contribution of f' and f'' - plus plot in 2-theta and Q-space.

The latest April 2001 version of Poudrix incorporates GETSPEC (an MS Windows port of U.D.Altermatt and I.D.Brown's Spacegroup Software) which allows the user to spacegroups in non-standard settings as well as by Herman-Maug or Hall symbols; and Spacegroup number. This is easily accessed via the Poudrix point and click menu.


Poudrix is obtained as a Windows executable from the LMGP (Laboratoire des Materiaux et du Génie Physique de l'Ecole Supérieure de Physique de Grenoble http://www.inpg.fr/LMGP/) suite program area at http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/.

Run Poudrix by executing it from an ICON or file the Windows Explorer to give the following starting screen


You can either enter the structure by hand or open various structure file formats including Poudrix, Shelx, PowderCell and Lazy Pulvarix formats. In this case, we will open up m-ZrO2.


Click on the Select Spacegroup Icon and a GETSPEC window will appear with available spacegroups relevant to the cell type you are dealing with (in this case monoclinic spacegroups)


Select the required spacegroup, click OK then continue on with calculating your powder pattern as per normal.


[Tutorials page] | [LMGP Suite Index]

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