[Pw_forum] Does any one have Gd and Ce Pseudopotentials???
Prithwish Nandi
pnspeaks at sify.com
Sat Apr 7 13:20:31 CEST 2007
Hi Stefano,
Its really nice to hear from you. I am also
interested in doped cerium-oxide and I want to
do some spin polarized calculations.You have not specified whether your PP is LDA/GGA. Anyway, hope
the PP will serve my purpose very well. Looking forward. Thanks a lot.
With regards.
Prithwish Nandi
Research Scholar.
IGCAR, Kalpakkam, India
Quoting fabris at democritos.it:
> Dear Prithwish,
during next week, I will add to the pseudopotential library (http://
www.pwscf.org/pseudo.htm) the Ce pseudopotential we used to study
cerium-oxide. As you know, in general, compounds based on rare earths
may display quite intriguing properties and our pseudo has not been
tested for systems other than cerias. You can refer to me if you have
specific questions, I will be happy to contribute as far as I can.
Yours sincerely,
Stefano
On 5 Apr , 2007, at 11:25 , Prithwish Nandi wrote:
>
> Hi,
> Does anyone has the pseudo potentials for Gd and
> Ce
> ?
>
> With regards.
>
> Prithwish Nandi
> Research Scholar
>
> IGCAR, Kalpakkam, India
>
>
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