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 Gr??en Henning Glawe Max-Planck-Institut f?r 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
