> 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 http://www.nanomat.unina.it
