[Wien] The band structure of CuAlO2- SG 166

[Peter Blaha]

xcrysden ....

bilbao crystallographic server ...

eventually ctreate case.klist_band (just two directions) by "hand".

Am 29.02.2012 20:52, schrieb Osama Yassin:
> Dear Prof Blaha
>
> With reference of your work in PHYSICAL REVIEW B 79, 165209 
2009, about the band structure as given in Fig 2 and copied below. May you please let me know how do you
> select the k-point of its space group R-3m (No. 166) which is not supported in Wien2k....
> Inline image 1
>
> --
> *_Osama _*
> *Prof Dr Osama Ali Yassin *****
> */Professor of Solid State Physics and ICTP regular associate/*
> */Department of Physics, Faculty of Science/*
> *Taibah University, A-Madinah Al-Munawarh, K. Saudi Arabia *
> *
> *
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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