[Wien] Fractional occupancies
Dean Keeble
d.s.keeble at warwick.ac.uk
Mon Jan 29 14:54:05 CET 2007
Dear all,
I am a relatively inexperienced user of Wien (as my question is sure to
imply more aptly than I realise).
I'm attempting to find the EFG of various ferroelectric ceramics and I
can't seem to enter the structure correctly.
Uploading a .cif file and typing the the co-ordinates by hand yield the
same problem - the fractional occupancies in my material are not
correctly inputted. Examining the .struct file doesn't seem to give any
clues either. Can (and if so, how) do I specify fractional occupancies?
Thankyou in advance for your swift and benignant reply,
Dean Keeble
Dept. of Physics
Warwick University
UK
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