lattice custome

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1

Dear Lammps users,

I am going to make a nanoparticle with the lattice(custom) command from a Triclinic unit cell. but how can I put atoms by create_atom command inside this nanoparticle region?Since, Triclinic primitive unit cell cannot repeat in an orthogonal space and create atoms command does not have anything to insert this matter.

should I first make a supercell crystal by( lattice custom and region prism commands) and then cut the nanoparticle from this supercell?!

any comment is highly appreciated!

best regards,
Bahman Daneshian

2

Not sure what you are asking. The create_atoms
command will tile a triclinic box with atoms on
a lattice. If you want to create one nanoparticle
that way, you can save it to a date file, then
convert it (by hand) to a molecule file. Just
some simple editing to match the molecule
file format. Then you could use the create_atoms
command to create multiple instances of the
molecule file (e.g. nanoparticles) in a bigger
box, orthogonal or triclinic.

Steve