Symmetry handling for space groups having Origin 2 possibili

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gonze
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Symmetry handling for space groups having Origin 2 possibili

Post by gonze » Thu Mar 18, 2010 10:56 pm

Dear All,

does anyone know how symmetry is defined for space groups that have alternative descriptions e.g. origin 2 or even special directions ?

For example space group 203 ?

Thanks a lot,

Xenophon

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Please, see
http://www.abinit.org/documentation/hel ... ml#spgorig
and
http://www.abinit.org/documentation/hel ... ption.html
Space group 203 is indeed defined with two possible origins, defined in the International Tables for Crystallography.

Best,
X

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