[Wien] The band structure of CuAlO2- SG 166

Osama Yassin oyassin63 at gmail.com
Wed Feb 29 20:52:01 CET 2012


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....

[image: 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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