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


From: Sharma MD <sa.md.dtm@...24...>
Date: Fri, 4 May 2018 22:50:16 +0530

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? 



Regards,