The ABINIT Users Mailing List ( CLOSED )

[m_mikami@hf.rim.or.jp]

It would be a good idea to put your input file 
for us to understand more clearly. (Netiquette!)
If you would be afraid of the disclosure of your interest,
still you could put your input by replacing the atoms 
in your unit cell by other different atoms...

In my experience, I could deal with the space group 36,
by setting "brvltt -1" (reducing to the primitive cell) 
with the information on the conventional cell (spgroup 36)... 
(N.B. the conventional cell is twice as large 
 as the primitive cell. If you want to calculate 
 the conventional cell, set "chkprim 0")
http://www.abinit.org/Infos_v5.3/input_variables/vargs.html#chkprim
http://www.abinit.org/Infos_v5.3/input_variables/vargeo.html#brvltt
 
Otherwise, you might want to find the primitive cell by hand
(or GUI tools for such purpose). Just for your reference, 
  http://cst-www.nrl.navy.mil/lattice/struk/c24.html
(in http://cst-www.nrl.navy.mil/lattice/spcgrp/orthorhombic.html)

Regards,
Masayoshi 

P.S. It might be a good idea to put something (signature)
to identify ourselves when we post...