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primitive vs conventional unit cell

From: gunhild.vonoertzen@unisa.edu.au
To: forum@abinit.org
Subject: primitive vs conventional unit cell
Date: Wed, 1 Mar 2006 06:01:22 +0100

When entering the spgroup number for crystalline Si, spgroup=227,
and using chkprim=0, brvltt=-1, I expect to enter only one set of
coordinates, for the conventional unit cell. When I do this, however, the
calculation fails, while it works when entering the second position needed
for the primitive unit cell. Why?

primitive vs conventional unit cell, gunhild . vonoertzen, 03/01/2006