1. FixPhonon

Fix-phonon implements the method to evaluate phonon frequencies based on molecular dynamics simulations developed by our group. With this method, the vibrational motions of atoms are observed and employed to construct the dynamical matrices, which can then be usd to calculate the phonon frequencies. It is now distributed with LAMMPS as a user-contributed package FixPhonon. Nonetheless those who are interested can download the source code from here. The post-processing code phana can be downloaded here, and the related libraries can be found here.

Besides, a variant of FixPhonon, Dump2Phonon, is also available for download. This code implements the same algorithm as FixPhonon, but it evaluates the phonons from atomic trajectories from any MD codes besides LAMMPS. Those who are interested can download from here. It uses the same post-processing code as FixPhonon.

2. FixGFMD

FixGFMD implements the Green’s Function Molecular Dynamics method developed by Prof. LT Kong when he was working with Prof. Martin Müser and Prof. Colin Denniston, it is designed as a user-contributed package of LAMMPS. Those who are interested can download it from here.

3. LatGen

Latgen is an auxiliary code for molecular dynamics simulations, which helps to generate the initial atomic configurations of various lattices. It has several embedded crystal lattice, while one can also define his own lattice. The generated file is in the format of LAMMPS （atom_style atomic）, and the corresponding “map.in” file can be used by FixPhonon.

In general, this is an internal code, no support will be provided. While those who are interested can download it from here.