[Wien] space group + number of atoms and positions

[apu at veccal.ernet.in]

Dear All,
One thing is sufferring me a lot. I don't have much idea about space groups. 
In case of giving positions of atoms in WIEN2K, so far I understand when I am giving the space group information, I should not have to give the positions of all the atoms. It is understood from the space group information.

For example: For fcc Nickel with space group 225, I have to only give the position of one atom (0,0,0).Not the (0.5,0.5,0.0) ...

But I can't understand, if know the space group of a system, how can I decide what position and how many atom position I should insert in WIEN2k.

I will be grateful, if anybody help me in this regard.

Regards,
Apu



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Apu Sarkar
Research Fellow
Variable Energy Cyclotron Centre
Kolkata 700 064
phone: 91-33-2337-1230 (extn. 3190)
Fax:   91-33-2334-6871 
INDIA
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