Dear Andrea and Filipe, Thanks for your helps. As i understand this PP is suitable for only Ag surfaces.
Sincerely yours. Fatih ----- Original Message ----- ----- Original Message ----- From: "Filipe Camargo Dalmatti Alves Lima" <[email protected]> To: dalcorso at sissa.it, "PWSCF Forum" <pw_forum at pwscf.org> Sent: Friday, April 4, 2014 3:56:29 PM Subject: Re: [Pw_forum] Ag.pbe-dn-rrkjus_psl.0.1.UPF 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- 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 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -- _________________________________________ Filipe Camargo Dalmatti Alves Lima PhD Student University of S?o Paulo, Physics Institute, Materials Physics Department, Nanomol Group, Brazil. Phones: (11) 3091-6881 (USP) (11) 97408-2755 (Vivo) _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140404/bea27362/attachment.html
