[Wien] the isomer shifts problem

[Stefaan Cottenier]

> > You have a really 'free' Fe monolayer, not surrounded by anthing.
> > Is that what you want? In that case, you can separate the layers 
> > even further by putting a single Fe at Z=0.
> 
> Yes.That's what we want.We want to calculate that system which is
> composed of many
> Fe monolayers.If we put a single Fe at Z=0,what will the struct file
> be?we don't know how to put it.

Take a=b='lattice constant of bcc Fe' and c='large', with one Fe at 
(0,0,0). This will give you an infinite series of free (001) 
monolayers of bcc-Fe, separated from each other by 'c' a.u.

Stefaan