[Pw_forum] PARTICULAR SITE OCCUPIED FRACTIONALLY BY DIFFERENT ELEMENTS

[Sudip Kumar Mondal]

Hello everyone , I am Sudip from Jadavpur university, India.
I am currently working with CdTe (Space Group - I41/amd , 141 ;
body-centered tetragonal structure) in which each site is equally shared by
Cd & Te atoms i.e. occupancy is  0.50 for each element.I am having problem
to incorporate the  occupancy in the pwscf input file.
So , my question is :
How to include this occupancy  in the ATOMIC_POSITION card or anywhere in
the input file?
CIF is attached herewith.
Thank you in anticipation.
Regards....
-- 
Sudip Kumar Mondal
Junior Research Fellow
Dept. Of Geological Sciences
Jadavpur University
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