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 * > * > * > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- ----------------------------------------- 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 -----------------------------------------