To perform the calculations here reported one or more of the following codes are needed.
We refer the interested reader to the codes website for licence of use, installation instruction, and requirements.

I-Pi: https://github.com/i-pi/i-pi
LAMMPS: https://lammps.sandia.gov
DFTB+: https://dftbplus.org
N2P2: https://github.com/CompPhysVienna/n2p2
CP2K: https://www.cp2k.org