[Pw_forum] spin-polarized band structure

[Giovanni Cantele]

> Hi All,
> I am trying to calculate the band structure of a metallic system,
> but I am not sure how I can get a separate band structure for each
> spin component. With nspin=2, I get all other quantities (like DOS
> and PDOS) for each component, but not the band structure.
> Is it possible to do this with QuantumEspresso?
>
> Thanks for your help.
>
> Seunghwan Lee
> University of North Carolina

It is possible. As you might see in the outputs of pw.x, eigenvalues for
both spin components are printed. If you usually use bands.x, just add to
its input the variable spin_component (possible values: 1, 2). You must
execute bands.x twice, of course fiving two different names to filband.
More details in Doc/INPUT_BANDS.*

Giovanni

-- 
Giovanni Cantele, PhD
CNR-SPIN and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910 - Fax:   +39 081 676346
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
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