[xcrysden] Saving as XSF structure

[Tone Kokalj]

On Thu, 2011-07-21 at 13:49 -0700, Izaak Williamson wrote:
> Hello,
> 
> I know that when I save my structure as an XSF file, the atomic
> coordinates for the molecule are in angstroms. Is there any way that
> XCrySDen can print those coordinates in alat (as a function of the
> lattice parameter a)? Some of the structures that I create from XSF
> files need the precision of alat units and converting them manually is
> quite time consuming.

The easiest thing is to write a small, say, awk script that will do the
scaling of coordinates from angstrom to alat units. 

Regards, Tone

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Anton Kokalj
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