LAMMPS.Si-vac.d --------------- **Description:** This example shows how to use pARTn in LAMMPS, to compute the diffusion of a single vacancy in a Si crystal. There are two input structures containing the same defect: - ``conf.sw`` with 511 atoms; - ``conf_big.sw`` with 7999 atoms. The choice of which simulation box is used affects both input files, the LAMMPS input in ``lammps.in``, and the ARTn input ``artn.in``, see the comments in both files. The example is launched like a regular LAMMPS calculation: .. code-block:: bash /lammps_path/lmp -in lammps.in The energy barrier should be around 0.5 eV for both simulation boxes.