Here we introduce the installation of phonopy and phono3py.

Installation of some software linked with VASP

1. Phonopy

More information about this software is found at http://atztogo.github.io/phonopy/
We will tell how to install this on Milkyway-2.

[1] Download the phonopy.tar.gz or tar.bz2 from the link above.

[2] Decompress the tar.gz with tar -zxvf … or tar -jxvf for tar.bz2

[3] Get into the folder.

[4] In terminal

$module load python/2.7.9-gcc-4.8.5
$python setup.py install --user 

[5] Environment Variables Setting

$vi ~/.bashrc

In the vim:

export PYTHONPATH = ~/.local/bin:$PYTHONPATH
export PATH = ~/.local/bin/python2.7/site-packages:$PYTHONPATH
alias phonopy ="~/.local/bin/phonopy"

Here, ~ stand for the parent path for the folder “.local” and you can use os.path.dirname(.local) to get that.

Phono3py

Most of the installation is same as phonopy. But you should add below in step [3]:

$module load lapack/3.5.0-gcc-4.8.5
$module load openblas/0.2.20-gcc-4.8.5

And the environment variables setting is the same.