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Hi

I've tried to follow the example about Copper and S3 given in the article. Inserting the Euler angles for Cu and S3 given into the orientation matrix g:
 
does not give the shown results for   and  . In order to obtain the shown results, following changes to the orientation matrix have to be done:
-- All   and   have to be changed to  
-- All   have to be changed to  
-- The second sign (minus sign) in element 1,2 (row,column) has to be changed to a plus

The axis/angle description is caculated to be 19.6° about [0.462,0.418,0.248] (note the change in the second element) which is 3.5° from <221>.

I'd like a third oppinion, before changing the article.