The PhononSED Fortran-90 code calculates phonon projected Spectral Energy Densities (SEDs) from molecular dynamics atomic velocity data and phonon eigenvectors calculated with GULP.

Compile with make

Run as: ./PhononSED.x < input/PhononSED.inp python fitter.py

To compile a parallel version with MPI use make parallel

To run the parallel version, use mpirun -stdin all -np *number_of_processors* ./PhononSED.x < input/PhononSED.inp

fitter.py is an example python code calculates phonon lifetimes by fitting Lorentzians to the SED data. A newer version has been developed in Matlab.

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