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Added additional tutorials for the dynamical matrix calculator

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casievers
2019-02-11 19:46:22 -08:00
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examples/USER/phonon/dynamical_matrix_command/Silicon/README.md Executable file
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# 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