[lammps-users] quantum dot structure based on rhombhedral cells

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1

Dear users and developlers,

I’m new to LAMMPS. After reading part of the user manual, I found that once a rhombhedral cell is specified, the boundary must be periodic in the tilted axis directions. So does that mean to simulate a quantum dot structure based on rhombhedral cells, the only choice I have is to use a superlattice with large void around my target structure, with periodic boundary conditions enabled? Thanks a lot!

2

Dear users and developlers,

I'm new to LAMMPS. After reading part of the user manual, I found that once
a rhombhedral cell is specified, the boundary must be periodic in the tilted
axis directions. So does that mean to simulate a quantum dot structure based
on rhombhedral cells, the only choice I have is to use a superlattice with
large void around my target structure, with periodic boundary conditions

please elaborate a little more on what you intend to do.
for isolated systems, the cell shape does not matter at all...

cheers,
   axel.