Dear Xianlong, If there is no spin orbit the direction of the spin is independent of the spatial orientation. What only matters is the relative orientation between different spins. I think that the possibility of including spin orbtit will be included in the official release of Siesta soon but in the meanwhile you may talk to Jaime Ferrer ([EMAIL PROTECTED]) about it.
Victor ------------------------------------------------------------- Dr. Victor Manuel Garcia Suarez Research Assistant | Tlf: 0044 - (0)1524 593 995 Physics Department | Fax: 0044 - (0)1524 844 037 Lancaster University | e-m: [EMAIL PROTECTED] | [EMAIL PROTECTED] Lancaster LA1 4YB | United Kingdom | www: http://condmat.uniovi.es/victor ------------------------------------------------------------- -----Original Message----- From: Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta on behalf of John B. Baba Sent: Wed 12/20/2006 07:02 To: SIESTA-L@listserv.uam.es Subject: [SIESTA-L] NonCollinearSpin Dear All: I am a new SIESTA user. I am puzzled by the question about the SIESTA funtion of NonCollinearSpin. My question: When I set one atom with plus spin in the input file, but I don't know which direction is the tolerent direction in SIESTA. If I put atoms in line along the Z-axis and set them with a plus spin, then which direction is the spins point at? Do they all point at z-dirction or other directions? Hope for your help. Thank you very much. Sincerely: Xianlong Wang