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

Andrea Dal Corso dalcorso at sissa.it
Fri Apr 4 14:23:44 CEST 2014

As far as I know, this Ag PP is working, and should be fine for Ag


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

More information about the users mailing list