[ase-users] ASE.UTILS.GEOMETRY question

[Jens Jørgen Mortensen]

Den 01-02-2013 15:13, S. Sanchez skrev:
> Dear ASE users,
> After creating a (111) surface using ASE.UTILS.GEOMETRY; I end up with 
> a simulation cell, whose unit-cell axes are larger than needed.
> Is there a way to reduce the resulting unit cell-axes dimensions 
> automatically, while keeping the symmetry of cell?

Try the surface() function:

https://wiki.fysik.dtu.dk/ase/ase/surface.html#create-specific-non-common-surfaces

Jens Jørgen

> Thanks,
> SS
>
>
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