[Wien] Orthorhombic Structure

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Mon Sep 15 08:04:22 CEST 2003

> Wien 2k code works well only for orthorhombic base centerd space group 65,
> not for 63 and 64.Is there any bug.
> If not, How we can set case.strut file for that....

What's the problem ? As far as I know it works (even in three different

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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