[Pw_forum] How to specify spin for individual atoms

[O. Baris Malcioglu]

Dear Bipul Rakshit,

Please take a glance at "starting_magnetization" under the system
namelist. You can find the relevant information in the supplied
documentation directory.

Best,
Baris


2010/5/17 Bipul Rakshit <bipulrr at gmail.com>:
> Dear Users,
> I am doing a system in which i have 8 Mn.
> Following is the atomic positions in fractional co-ordinate.
>
> Mn1      0.12500000000      0.25000000000      0.27940000000    +
> Mn1      0.37500000000      0.75000000000      0.72060000000    +
> Mn2      0.12500000000      0.25000000000      0.74860000000    -
> Mn2      0.37500000000      0.75000000000      0.25140000000    -
> Mn1      0.62500000000      0.25000000000      0.27940000000    -
> Mn1      0.87500000000      0.75000000000      0.72060000000    -
> Mn2      0.62500000000      0.25000000000      0.74860000000    +
> Mn2      0.87500000000      0.75000000000      0.25140000000    +
>
>
> Now i want to specify the spin as shown by the last column, (with + & -
> signs).
> So can  you please tell me what flags i have to use to specify the magnetic
> spin for particular atom.
> --
>  Bipul Rakshit
> Research Fellow,
> S N Bose Centre for Basic Sciences,
> Salt Lake,
> Kolkata 700 098
> India
>
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