[Wien] disorder structure calculation

2015-11-01 Thread wasim raja Mondal
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 Sb0.00 0.1183 0.259 T11 Tl 0.00 0.1183 0.259 Do you have any suggestion how can

Re: [Wien] disorder structure calculation

2015-11-01 Thread delamora
<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 structu

Re: [Wien] disorder structure calculation

2015-11-01 Thread delamora
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:

Re: [Wien] disorder structure calculation

2015-11-01 Thread Yehuda Zeiri
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 disor