ERROR: Out of range basis setting in create_atoms command

LAMMPS LAMMPS General Discussion
1

Hello everyone,

I’m trying to build a sphere using alumina in a custom lattice. The input seems to work well when I create a sphere with a specific radius. However, it doesn’t work with other radii, and also when I attempt to fill a box with Al2O3 using the this lattice, I encounter the same error: ‘ERROR: Out of range basis setting in create_atoms command.’

Sincerely, Abderrazak

2

That error message is a clear indication that the error has nothing to do with the radius of a sphere, but due to a typo or other omission in your custom latter or create_atoms command.

3

I greatly appreciate your response,
but If the error is related to the lattice or create_atoms commands, I think it will not work for any radius, but it works for one."

4

That statement makes no sense. I do know a little bit about how those commands are implemented and thus am quite confident in my statements. You may see a correlation, but that is no proof for causation.

If you want to get help in having this resolved, you have to provide tangible proof to confirm your statements.

5

Thank you very much. Upon verification, you are correct. The issue I’m facing is within the “create_atoms” command, specifically with the particle type. I have set a particle type in “create_atoms” that I did not declare in “read_data,” which I used to define my simulation box.