[Pw_forum] Sumpdos.x

Eyvaz Isaev eyvaz_isaev at yahoo.com
Sat Aug 7 23:41:02 CEST 2010

Dear Ramesh,

>From: ramesh kumar <raamesh123 at rediffmail.com>
> Last month there was a question how to integrate PDOS???

Integrating PDOS you will get  number of electrons for that particular state. Is 
that  what you want? 

> just to clarify my doubt...projwfc.x gives 5 d orbitals for particular  3d 

This sounds unlikely. Check your Pseudo-file.

> will sumpdos.x gives the contribution of that particular 3d  element to the 
>total density of states????

If you specify all states for a given atom then you will obtain what you mean. 

>Exactly what sumpdos.x does??? only summing up or is there something important 
>elementary thing i am >missing????

Exactly summing up of these Partial DOS which you specified. No more, but no 

Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


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