[Pw_forum] question about projwfc.x

[Gabriele Sclauzero]

Parwana HABIBI wrote:
> Hi,
> 
> My question is not about the PDOS, because PDOS are integration of the 
> population on each energy level.

This definition of PDOS does not make sense, to me at least, sorry.


> What I meant in my question, is I would like to have the population (so 
> to say the weight) of each orbital on each band.

Then, it is what you have shown previously in the filproj file. An electronic band extends 
in the BZ, so that you have also a dependency on the k-point.

> The purpose of that, is that I would like to visualize the components of 
> a surface state in chromium, is it more dz2, or dxy...

How do you identify the surface state? This depends a lot on the system, on the 
geometry... It seems to me that your task is not a general purpose one, those that can be 
done automagically by some utility.

> 
> Do you understand my question now?

Not much more than before, sorry.

GS

> Thanks,
> 
> Parwana.
> 
> PS: Ph.D student at CEA Saclay, France.

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