Dear Victor,
First, thank you for your reply. Just as you say, I have test a atom line
just now and find that the results are not infulenced by the direction of
the atom line.
But if I want to do a NonCollinearSpin calculations about a atom line,
how can I determine the theta and phi? In other words, how can I use the
theta and phi to determine the relative spin between theose atoms. Can
you give me a modle about a system contained two atoms.
In my mind, if there is not a fixed direction, it is difficult to use
the theta and phi beacuse I do not know what they are meaning.
Please help me, I am pullzed by this question and interesting about it.
%block DM.InitSpin
1 + theta phi
2 + theta phi
%endblock DM.InitSpin
Yours Sincerely Xianlong
> 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
