I would like to load a structure which is Z'=0.5 and convert it to a Z'=1 structure.

This would require changing the spacegroup to a subgroup.

Is this method available through the API?

Many thanks


Sorry, Aurora, it's not available yet.  I'll make a note that you would like it and see if I can get it into a release sometime.

Best wishes


I have a python script for that. Please contact me for a copy. 

Could you post it here as well, please Jonas.  It seems the sort of script that other people would be interested in.



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