[Pw_forum] occupancy of the state from PDOS calculation

[Gabriele Sclauzero]

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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