[Wien] Crystal structure

[Tomas Kana]

Dear Antonio,
 Look at page 40 in the most recent version of Wien2k usersguide at 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf.
 In fact, you should specify the five direct coordinates of the five atoms 
 in your basis in rhomohedral coordinates, but when specifying the unit cell,
 you enter the a_hex and c_hex  lattice of the hexagonal "envelope" 
(see second figure at http://www.mx.iucr.org/iucr-top/comm/cteach/pamphlets/5/node3.html  )
You can type your rhomohedral coordinates in a form at 
http://qpeng.org/tools/r2h.html
but you should definitely check the results for yourself. 
 Regards 
 Tomas 

------------ Původní zpráva ------------
Od: Antonio Vanderlei dos Santos - Fisica <vandao at urisan.tche.br>
Předmět: [Wien] Crystal structure
Datum: 14.5.2012 21:14:39
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Dear users
I'm trying to calculate the following structure.
rhombohedra Crystal structure with the spacegroup (R3m) with Five atoms
in one unit cell. Could someone provide me the correct atomic
positions.

regards