[Pw_forum] Ultrasoft Pseudo potential for Mn

[vtmtrinh at caltech.edu]

Dear Paolp,

The reason why I am thinking of LDA, since my unit cell includes more than
200 atoms of 3 different elements (Mn, Ba, and Sb).  From your advise, I
think will switch to PBE.

Thank you very much,

Trinh




>
> On Jan 13, 2010, at 23:30 , vtmtrinh at caltech.edu wrote:
>
>> I misunderstood the email discussed in the forum
>
> and I misunderstood your email. What are you interested in?
> a LDA PP for Mn? I think it is a very bad idea to use LDA in
> with Mn. Anyway the link works again
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>