[Wien] generate equivalent positions
Tomas Kana
kana at seznam.cz
Mon Feb 15 15:28:38 CET 2016
Dear Amir,
At first, you should specify the structure using the Space group number
(for example in w2web or makestruct_lapw). Then, you specify only
one position and the remaining positions (belonging to the space group)
are generated automatically.
Hope this helps
Tomas
"
Dear WIEN2k users,
Please let me know
How can i generate equivalent positions for a atom or different atoms for a
compound with a specific symmetry?
I would like to know background of it for writing a program.
Sincerely,
Amir
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