[Pw_forum] generating PDOS is missing for some atoms

[Thomas Brumme]

Dear Tonatiuh,

we cannot help if you don't provide any information other than "It's not 
working".
Read also:

http://www.quantum-espresso.org/forum/#1.0

http://en.wikipedia.org/wiki/Minimal_Working_Example

Regards

Thomas

On 07/26/2014 07:41 AM, Tonatiuh Rangel Gordillo wrote:
> Hello,
>
> I am trying to generate the PDOS on all atoms of my system.
>
> I am using projwfc.x to do so.
>
> I have three kinds of atoms, but there are only PDOS files for the 
> first atom kind (which is Oxygen).
>
> Also, in the output, I can read that only states on Oxygen atoms were 
> used:
>
>     Atomic states used for projection
>
>      (read from pseudopotential files):
>
>      state #   1: atom   1 (O  ), wfc  1 (l=0)... etc..
>
>
> At the very end, Lodwin charges equal to zero are reported for 
> non-Oxygen atoms.
>
> How can I get the PDOS on other atoms?
>
> Is there a way to choose the atoms to calculate the PDOS?
>
>
> Best
>
> Tonatiuh
>
>
>
>
>
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-- 
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris

Tel:  +33 (0) 1 442 77204

email: Thomas.Brumme at impmc.upmc.fr

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