[Wien] spacegroup p31m

[Stefaan Cottenier]

> I have a unit cell (slab with vacuum) that is spacegroup 157 p31m.
> All the atoms when viewed look ok, but when I look at the forces on
> the atoms from within analyse it apears that a number of the z
> positions are locked due to symmetry (forces show 0.0000). How can
> this be true? If I look at the space group all z positions should be
> free. What could the possible reasons for this be. 

The only guess I can make with this information: didn't sgroup swap e.g.
your b and c? You think you are looking at z-coordinates, but actually
they are y-coordinates.

Stefaan


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