[Pw_forum] Ag.pbe-dn-rrkjus_psl.0.1.UPF

[Filipe Camargo Dalmatti Alves Lima]

Dear Faith,

This paper has been published using Ag surfaces and QE pseudopotentials:
Structure and Molecule-Substrate Interaction in a Co-octaethyl Porphyrin
Monolayer on the Ag(110) Surface
http://pubs.acs.org/doi/abs/10.1021/jp2011233

It might help you designing your own system.

Best,

Filipe




On Fri, Apr 4, 2014 at 9:23 AM, Andrea Dal Corso <dalcorso at sissa.it> wrote:

> As far as I know, this Ag PP is working, and should be fine for Ag
> surfaces.
>
> Andrea
>
>
> On Fri, 2014-04-04 at 13:15 +0300, fatih.ersan at adu.edu.tr wrote:
> > Dear A. Dal Corso:
> >
> > I want to use Ag atoms for my study, when i'm searching suitable
> pseudo-potentials(pp), i met Ag.pbe-dn-rrkjus_psl.0.1.UPF which has
> config='[Kr] 4d9.5 5s1.5 5p0.0'electronic configurations. Is your scope to
> generate this potential to examine catalytic activities or something like
> this? Can i use this PP to adsorb on any sheet? Could you help me for me to
> understand?
> >
> > Best wishes
> >
> > Fatih
> > _______________________________________________
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>
> --
> Andrea Dal Corso                    Tel. 0039-040-3787428
> SISSA, Via Bonomea 265              Fax. 0039-040-3787249
> I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it
>
>
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-- 
_________________________________________
Filipe Camargo Dalmatti Alves Lima
PhD Student
University of São Paulo, Physics Institute, Materials Physics Department,
Nanomol Group, Brazil.
Phones:    (11) 3091-6881  (USP)
                (11) 97408-2755 (Vivo)
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