Thank you very much for your hints!
> Dear Marcos,
>
> It seems like a very nice idea, but doesn't PDOS depend strongly on the
> basis set, as well? I still think that the most reliable choice would be to
> work directly with the total spin density.
>
> 2007/4/23, Marcos Verissimo Alves <[EMAIL PROTECTED]>:
> >
> > This question has just come to discussion on the list in the last few
> > days... Using the mulliken populations would be one way of doing it.
> > Another would be to use Andrei Postnikov's tools for integration of charge
> > density over atomic spheres. Yet another way would be to calculate the
> > PDOS for each atom with a small smearing, then integrate over the energies
> > up to the Fermi level. Seems complicated but with some shell scripting,
> > sed and a small fortran/c program to integrate the PDOS it can be
> > accomplished without too much difficulty.
> >
> > Cheers,
> >
> > Marcos
> >
> >
> > > Is it right if only use the value of "SPIN-UP - SPIN-DOWN" in Mulliken
> > > population analysis?
> > >
> > >> Dear Siesta usrers,
> > >>
> > >> How to get the local magnetic moment of each atom in the clusters,
> > >> molecules, or solids using siesta code?
> > >>
> > >> Best regards,
> > >> C. H. Hu
> > >>
> > >>
> > >
> > >
> >
> >
> > --
> > Dr. Marcos Verissimo Alves
> > Post-Doctoral Fellow
> > Condensed Matter and Statistical Physics Sector
> > International Centre for Theoretical Physics
> > Trieste, Italy
> >
> > --------
> >
> > I have become so addicted to vi that I try to exit OpenOffice by typing
> > :wq!
> >
>
