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
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
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.