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 * * * -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120229/0bb5ba0a/attachment.htm> -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: image/png Size: 22088 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120229/0bb5ba0a/attachment.png>
