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
<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
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:
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
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