[Wien] local rotation matrix

[Peter Blaha]

The rotated (new) coordinates are R', the old ones R and the matrix is M:

R' =  R . M 

0               (0 1 0 )    
0  =  (0 1 0) . (0 0 1 ) 
1               (1 0 0 )    

As was mentioned before, it's all a matter of convention (actually in the 
code the matrix is transposed when reading it).

>   Thanks for your explanation, but still I cannot well understand 
> this point.  Since 'Symmety' detects mny (see below), in the 
> local (new) coordinate system, new z' must be the original y, 
> but why in the output matrix 
> 0 1 0
> 0 0 1
> 1 0 0
> it becomes x'.  



                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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