[Wien] The band structure of CuAlO2- SG 166

[Osama Yassin]

Dear Prof Blaha,,

may you please send us a template for the R-3m.klist

Best regards

On 3/1/12, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
> 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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>
> --
> -----------------------------------------
> 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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-- 
*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 *
*
*