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CCP14

Tutorials and Examples

XND Rietveld by Jean-Francois Berar

Adding in New Spacegroups

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

[Tutorials page] [XND Page]

Following thanks to Gianguido BALDINOZZI (baldinozzi@cps.ecp.fr)

"If you need to enter missing space groups in xnd, just use 

sginfo -allxyz Pm-3m

then copy and paste the first block of symmetry ops (24) in xnd adding
the correspondent headers in the .k input file ; for example in this
case it should be 

 PM3M 
 C 1 1 24

and the corresponding 24 sym ops in free format


xnd will rewrite in a more compact way the block in the .new file after
you run it."


[Tutorials page] [XND Page]

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If you have any queries or comments, please feel free to contact the CCP14