Run Poudrix by executing it from an ICON or file the Windows Explorer to give the following starting screen
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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.
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Poudrix is obtained as a Windows executable from the LMGP
(Laboratoire des Materiaux et du G�nie Physique de l'Ecole Sup�rieure 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
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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.
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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)
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Select the required spacegroup, click OK then continue on
with calculating your powder pattern as per normal.
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