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,
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.