ily... at gmail.com
Mon Sep 29 12:57:28 CEST 2008
Thank you Teo!
On Sep 29, 2:49 pm, Laino Teodoro <teodor... at gmail.com> wrote:
> GHO (Generalized Hybrid Orbitals) is not implemented.
> PSEUDO is a way to use a monovalent pseudo-potential (which you will
> have to optimize by yourself)
> which mimic the electronic properties of the QM atom you're cutting.
> On 29 Sep 2008, at 12:43, ilya wrote:
> > And what do GHO and PSEUDO mean?
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