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Re: [lammps-users] Regarding lattice custom command
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Re: [lammps-users] Regarding lattice custom command


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 4 May 2018 16:03:58 -0400

On Fri, May 4, 2018 at 1:20 PM, Sharma MD <sa.md.dtm@...24...> wrote:
> Dear lammps users,
>
> I want to create a BCC lattice using lattice command. In BCC lattice, all
> the corner atoms are of one type and the center atoms are of second type.
>
>  Therefore I used the following commands:
>
> lattice     custom  3.392 a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 &
> basis 0.0 0.0 0.0
> create_atoms 1 region P1
> lattice     custom  3.392  a1 1.0 0.0 0.0 a2 0.0 1.0 0.0 a3 0.0 0.0 1.0 &
> basis  0.5 0.5 0.5
> create_atoms 3 region P1
>
> Is this a right way to write a BBC structure having two atom types?

the best way to know is to try for yourself. write out the coordinates
and visualize them and be the judge.

axel.

>
>
>
> Regards,
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.