[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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