[Pw_forum] occupancy of the state from PDOS calculation

[Tram Bui]

Dear Gabriele,
    Sorry for the unclear question. So let say if I found a "p" state from
the pdos calculation of my interstitial defected cell. Is it possible to
find the occupancy of that "p state"?

Regards,
Tram


On Tue, Jul 26, 2011 at 2:01 AM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>
>  Il giorno 25/lug/2011, alle ore 21.00, Tram Bui ha scritto:
>
> Dear Everyone,
>     From the PDOS calculation (projwfc.x), can we find the occupancy of the
> state?
>
>
> Which state?
>
>  Also, can we run for ionization energy calculation from pdos?
>
>
> Never heard so. To compute ionization energies you need energies, not pdos.
>
>
> GS
>
>
> Regards,
>
> Tram Bui
>
> M.S. Materials Science & Engineering
> trambui at u.boisestate.edu
>
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>
>
> § Gabriele Sclauzero, EPFL SB ITP CSEA
> *   PH H2 462, Station 3, CH-1015 Lausanne*
>
>
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>


-- 
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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