Thank you very much. Magda
2011/1/17 Barraza-Lopez,Salvador <[email protected]> > Hi Magda, > > For a given k-point, the bands file will have spin up and spin down > entries if the run was spin-polarized. To see where the spin down entries > start, look for a sudden jump in the eigenvalues (ie, from large positive > values back to negative ones) right at the middle of the dataset for any > k-point. > > Best regards, > -Salvador. > > ------------------------------ > *From: *"Magdalena Birowska" <[email protected]> > *To: *[email protected] > *Sent: *Monday, January 17, 2011 6:26:53 AM > *Subject: *[SIESTA-L] band structure > > > I have performed Spin Polarized calculations. I would like to know how can > I > turn on spin down calculations in the file *.bands > > > Thanks in advance > Magda > > > > > > -- > Salvador Barraza-Lopez > Postdoctoral Fellow > School of Physics > The Georgia Institute of Technology > > Office N205 > 837 State Street Atlanta, Georgia 30332-0430 U.S.A > Tel: (404) 894-0892 Fax: (404) 894-9958 >
