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
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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
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-----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
