You can enlarge the cell with "supercell" and then you will have more atoms o
________________________________ 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
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