[Pw_forum] Ultrasoft Pseudo potential for Mn

[vtmtrinh at caltech.edu]

Dear Paolo,

I misunderstood the email discussed in the forum.  I thought that the link
you gave before was the USPP-LDA for Mn.  So I guess you meant that LDA PP
was not good, and the one with PBE is better? (I don't why yet).

Thank you very much,

Trinh

>
> On Jan 13, 2010, at 21:00 , vtmtrinh at caltech.edu wrote:
>
>> Could you give me the pp again, if you don't mind.
>
> I don't mind, but I don't know which file exactly you are referring to.
> There is a new Mn USPP that should be better than the previous
> one. Please get it here:
>
> http://www.quantum-espresso.org/pseudo/upfdetails.php?upf=Mn.pbe-sp-
> van_mit.UPF
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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