[Wien] Local rotation matrix

[Peter Blaha]

> That difference in the sign makes the "rotated" atomic reference system left-
> handed.

Your analysis is correct. However, for our purposes, we don't  care about
right or lefthanded coordinate systems. Of course you can define your own
"rotation matrix", as long as you fulfill the symmetry requirements as defined
in case.outputs.

You may have a look into SRC_symmetry, where the rotation matrices are
determined, and in other programs (eg. lapw2/l2main) where they are used
(be carefull, there might be tricks like transposing a matrix during
reading,...)



                                      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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