lammps/examples/USER/phonon/dynamical_matrix_command/Silicon/README.md

LAMMPS LATTICE DYNAMICS COMMANDS

DYNAMICAL MATRIX CALCULATOR

This directory contains the ingredients to calculate a dynamical matrix.

Example:

NP=4 #number of processors
mpirun -np $NP lmp_mpi -in in.silicon -out out.silicon

To test out a different silicon example:

LMP_FILE=amorphous_silicon.lmp
cp lmp_bank/$LMP_FILE ./silicon_input_file.lmp
NP=4 #number of processors
mpirun -np $NP lmp_mpi -in in.silicon -out out.silicon

Requires: MANYBODY and MOLECULE packages