[Wien] primitive or conventional

[Peter Blaha]

Internally we use of course the smallest, i.e. the primitive, cell.

Mohammad Reza Rasoulian schrieb:
> Hello dear users
> the calculation of wien2k are  with  primitive unit cell or conventional ?
> thank you
> 
> -- 
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> ======================================
> Mohammad Reza Rasoulian
> Computational Condensed Matter Research Lab
> Physics Department, Isfahan University of Technology, Iran
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> Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746
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                                       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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