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