[Pw_forum] dosup and pdosup in pdos_tot file

[B. Koa]

   Dear PWScf Users and Gabriele

   As I have read in the tutorial_magn.pdf which prepared by Paolo Giannozzi
they are too close to each other but not exactly the same as each other and
I don't understand the meaning of dosup and pdosup in the pdos_tot file
well; but generally I know the definition of DOS and PDOS. Also some values
of dosup and pdosup in the pdos_tot file have negative sign ! (at higher
energies ) but there are not such negative sign of dosup in the *.dos file.
What do the negative values mean?

  Truly Yours
  Koa

  me :
> > Dear PWScf Users
> >
> > It seems that "dosup" and "pdosup" which are in the pdos_tot file must
> > be equal and really they are equal in many cases. But in some cases
> > they differ a very bit with each other. I think that the origin of
> > this very small difference is only the numerical procedure and not any
> > physical one. Am I correct ?
>
>
    Gabriele :

> I don't think your statement is correct. DOS (density of states) and
> PDOS (projected DOS) are not the same quantity (otherwise why should one
> give them distinct names?). Please spend some time in searching their
> respective definitions (on textbooks, in the forum archives, or even
> looking at the code itself).
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100923/5078c601/attachment.html>