[Wien] supercell (ZnO)

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Mar 15 09:29:41 CET 2007


Update your WIEN2k version. supercell supports hcp

Mohammad mmt schrieb:
> Dear wien2k user,
> 
> I've got the question about ZnO supercell. Standart supercell program 
> (B,P and F) does not allow to choose H type. Which of these types are 
> suitable for our supercell?As the lattice structure of ZnO is hcp (space 
> group:186_p63mc) ,  how can we make the supercell of ZnO? Thank you in 
> advance.
> 
> Best regards
> 
> 
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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