[Wien] P21/c (n°14) space group

[Peter Blaha]

> I would like to take this opportunity to inquire again for clarification about
> the "Symmetry does not work for monoclinic lattice" FAQ on the Wien2K web page.
> Can someone please suggest a good value of the monoclinic angle to use? 90.1 or
> 90.01 deg, for example?

Every angle you like is fine, as long as it works. Only special values like
90.0 or 120.0 produce a different symmetry. The symmetry does not change
once the angle is away from 90.0

Try 91. , if it does not work try 89.0

                                      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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