היי אני יכול מחר אחר הצהריים (אחרי בערך 13) או כל יום אחר השבוע. יהודה
On Sun, Nov 1, 2015 at 2:28 PM, delamora <delam...@unam.mx> wrote: > You can enlarge the cell with "supercell" and then you will have more > atoms of the same kind so you can replace half for the other atom. > > The problem is that it will be replaced in an ordered way > > > ------------------------------ > *De:* wien-boun...@zeus.theochem.tuwien.ac.at < > wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de wasim raja Mondal < > wasimr.mon...@gmail.com> > *Enviado:* domingo, 1 de noviembre de 2015 03:51 a. m. > *Para:* A Mailing list for WIEN2k users > *Asunto:* [Wien] disorder structure calculation > > Dear users and experts, > > I am dealing with structure where two atoms can occupy at same > position because of disorder. Atomic position in the unite cell is given > below: > > Se Se 0.00 0.3582 0.241 > Sb1 Sb 0.00 0.1183 0.259 > T11 Tl 0.00 0.1183 0.259 > > Do you have any suggestion how can I give position in the wien2k structure > file? > > > Regards > wasim > -- Prof. Yehuda Zeiri Biomedical Engineering Ben-Gurion University Beer-Sheva 84105 Israel Office: 972-8-6479611 Fax: 972-8-6479628 Mobile: 972-54-5961450
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