The ABINIT Users Mailing List ( CLOSED )

[sundar.amancherla@geind.ge.com]

Hello

I am a new user of ABINIT and also electronic structure calculations. I need 
a little help in constructing a crystal of alpha-alumina. If I do not have 
all the atomic positions (10 atoms) considering a primitive rhombohedral 
cell, would it be difficult to create the crystal.

I have gone through the tutorial and examples' input files, and could not get 
how to use the spgroup,brvlatt,natom combination.

I have these info -

Spacegroup 167 (R-3c)
a = 3.621A; b = 0.257A

Do I need any other info? Could you point me towards an example. Thanks very 
much in advance for the help...

--
  Aman