Ty Sterling, University of Colorado Boulder, Dept. of Physics
Python code to calculate the phonon spectral energy density (psed) from molecular dynamics simulations. The executable is pSED and can ran from the command line as ./pSED. For more info, read the included 'manual.pdf' file.
The files containing all the subroutines and classes used by pSED.
Some sample LAMMPS input files
This directory contains a file that can use subroutines in Lattice.py to generate crystal structures for simulations. It also creates the file 'lattice.dat' needed by pSED