[Pw_forum] regarding charge density plot

[Henning Glawe]

On Mon, Mar 17, 2014 at 02:16:55PM +0100, Tone Kokalj wrote:
> On Sat, 2014-03-08 at 14:35 +0530, himanshu at iopb.res.in wrote:
> > Dear PWscf users,
> > 
> >                    I have two questions.
> > 
> >  1)Is there any possibility to calculate  charge density in a selected
> > energy window?
> 
> Yes, there is. It is called "integrated local density of states
> (ILDOS)", i.e., iswitch=10 of pp.x. The energy window is specified by
> emin and emax variables.

Strictly speaking, ILDOS and partial density are only identical sufficiently
far below Fermi level, as ILDOS does not consider the occupation numbers.

-- 
Mit freundlichen Grüßen
Henning Glawe

Max-Planck-Institut für Mikrostrukturphysik
Weinberg 2, 06120 Halle (Saale), Germany http://www.mpi-halle.de/~theory
Phone: +49-345-5582-613 Fax: +49-345-5511223  Email: glawe at mpi-halle.de