Re: [SIESTA-L] Mn psf and basis set

[Anita Rani]

Hi...m looking for Mn.psf file.which work with lda+u. Please if any one
have this file send me.

Thanks in advance.
On 25 Apr 2015 02:05, "Paweł Koziatek" <pkozia...@outlook.com> wrote:

> Hello,
>
> I was looking for a psf file modeling a bohrium potential and luckily
> there was one in the siesta database. Unfortunately I could not find a
> basis set for this element. Has anyone worked with B and could share their
> PAOs? Im still unfamiliar with Siesta and need guidance. Thank you in
> advance.
>
> Im also wondering on how to represent van der Waals interactions in
> Siesta. Please let me know if you've ever needed it for your work and how
> you dealt with it.
>
> Kind regards,
> pozdrawiam
> *Paweł Koziatek*
>