[Wien] Lattic Type for wz structure

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Fri Jul 2 08:35:45 CEST 2004


Sorry, I discribed Zinkblende structure.

For wurzite use   H   (hexagonal)

> Dear Profe. P.Blaha
> Thank you very much for your reply,but I'm surprize because I have read
> from userguide file that 'F' notation is used for 'FCC' structure as a
> lattice type,not for wurtzite(wz)one.So please let me know which should
> I use for lattice type on wz structurer in struct file.where the aoms
> are located at:
> Atom 1 : (0,0,0) , (2/3,1/3,u)
> Atom 2 : (0,0,u) , (2/3,1/3,1/2+u)
> u=0.375 is the internal structural parameter.
> Thank you in advance.
> best regards,
> ================================================================
> Behrooz Rezaei
> Research Institute for Applied Physics and Astronomy
> Tabriz University
> Tabriz, Iran
> Tel: +98-411-3393008
> Fax: +98-411-3347050
> Email: b.rezaei at tabrizu.ac.ir
> ====================================================================
>
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                                      P.Blaha
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