[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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