[ase-users] [gpaw-users] ASE: Wulff Construction

[Marcin Dulak]

Hi,

is anybody familiar with Wulff construction?
It seems completely missing from the ASE documentation and tests are 
missing.
This post belongs really to ase-users.

Best regards,

Marcin

On 03/06/2015 10:44 AM, Bazhenov, Andrey wrote:
> Hello,
>
> I have recently begun to familiarize myself to the Wulff construction. 
> In ase.cluster.wulff, I have found a function wulff_construction. The 
> same function is used by ASE GUI when selecting Setup >> Nanoparticle.
>
> The surface energies that I have calculated for Rh and Pt metals 
> differ dramatically (by a factor of 5-10) from those which ASE GUI 
> applies by default (when I click "Get Structure" in the Nanoparticle 
> window).
>
> What are the units of surface energies passed on to the 
> wulff_construction function? I presumed they must have been eV/Å**2. 
> Where does ASE GUI take the preset surface energies from?
>
> Yours sincerely,
>
>
> Andrey S. Bazhenov (PhD)
> Postdoctoral Researcher
>
> Nanoscience Centre
> University of Jyväskylä
> Faculty of Mathematics and Science
> Department of Chemistry
> P.O. Box 35 | FI-40014 | Jyväskylä, FI
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
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