[Pw_forum] question about DOS-projection

Guido Fratesi fratesi at mater.unimib.it
Thu Oct 11 10:01:40 CEST 2012

Dear Jin,

there are examples included in the distributions in the "example" 
folder. BTW:

On 10/11/2012 03:02 AM, Jin Chang wrote:
> First one is about the DOS of particular part of a slab model. I know
> how to do DOS for the whole slab system, but how can I get the DOS for
> like the middle part of a slab? Is there any example?

Use projwfc.x to project the DOS on individual atoms; then sumpdos.x to 
sum the DOS of the atoms belonging to the "middle part" of the slab.

See PP/examples/example02 for projwfc.x.
The use of sumpdos.x is trivial: sumpdos.x <file1> ... <fileN>

projwfc.x can be used to slice a real space volume, but I guess you are 
not willing to do so. In case, PP/examples/example04


Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy

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