[xcrysden] Can several .xcf files be displayed at one picture?

[Tone Kokalj]

On Fri, 2009-02-20 at 11:48 +0100, Sebastijan Peljhan wrote:
> You may also merge the atomic coordinates that are listed under the flag
> ATOMS in .xsf file and create new .xsf file:
> 
> ATOMS
> typei xi yi zi  from file i
> typej xj yj zj  from file j
> ...

In this case the xsf file describes a non-periodic structure, and the
only structure section in the file should be "ATOMS" (no
PRIMVEC/PRIMCOORD sections, see:
http://www.xcrysden.org/doc/XSF.html#__toc__3 )

I use this trick often when I want two structures side by side with the
same display size. In this case I merge the two structures as:


ATOMS
type1i x1i y1i z1i
type2i x2i y2i z2i   (from file i)
...
type1j x1j+dx y1j+dy z1j+dz
type2j x2j+dx y2j+dy z2j+dz   (from file j)
...

where (dx,dy,dz) is a suitable displacement vector for the 2nd
structure.

Regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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