The LAMMPS code is adopted to calculate the vibrational density of states (VDOS), represented by D(ω) versus ω function. 
LAMMPS
The first part of the work is devoted to the D(ω) versus ω relation of macroscopic Au, which is obtained by MD simulations as well as by a density-functional-theory calculation using the Vienna Ab Initio Simulation Package and the PHONOPY code. 
Vienna Ab Initio Simulation Package
The first part of the work is devoted to the D(ω) versus ω relation of macroscopic Au, which is obtained by MD simulations as well as by a density-functional-theory calculation using the Vienna Ab Initio Simulation Package and the PHONOPY code. 
PHONOPY