[Wien] disorder structure calculation

wasim raja Mondal wasimr.mondal at gmail.com
Sun Nov 1 10:51:41 CET 2015


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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