[Pw_forum] Doubt in DOS and PDOS
Stefano de Gironcoli
degironc at sissa.it
Wed Jul 7 09:56:26 CEST 2010
correct. and if you look at the end of the standard output produced by
projwfc.x this is exactly what you find.
stefano
Padmaja Patnaik wrote:
> Dear all
> I would like to have your suggestions on the following.
> I have calculated DOS and PDOS of a system taking a super cell. Since I have the partial density of states for each atom, can I integrate over energy upto
>
> Fermi energy for spin up and spin down separately to get net up and down spins on the atom. The sum will
> give me the total charge on the atom, while the difference will tell you the net magnetic moment of W.
>
> Regards
> Padmaja Patnaik
>
> Research Scholar
>
> Dept of Physics
>
> IIT Bombay
>
> Mumbai, India
>
>
>
>
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