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