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. ----- Original Message ----- 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
