[Pw_forum] How to specify spin for individual atoms

[Osman Baris Malcioglu]

Dear Bipul, 
Please also read the section "atomic species" in the documentation. You can have several different types that all use the same pp.
  
On 17.May.2010, at 11:11, Bipul Rakshit wrote:

> Dear Baris,
> thanks for your kind reply. I go through the "starting_magnetization" and the related documents. But with the help of that flag, we can specify the magnetic moment to particular type. But if u see the atomic co-ordinate i gave there i require the Mn1 spin up & down, and Mn2 spin up & down.
> 
> So that's i didnt understand how do i specify the spins for particular atoms not with particular type.
> 
> On Mon, May 17, 2010 at 1:21 PM, O. Baris Malcioglu <baris.malcioglu at gmail.com> wrote:
> 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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> >
> >
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> 
> 
> -- 
> Dr. Bipul Rakshit
> Research Associate,
> S N Bose Centre for Basic Sciences,
> Salt Lake,
> Kolkata 700 098
> India
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