[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
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW:
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