Phonopy Installations on Tetralith & Sigma

“Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels.”

Documentation and further information can be found here

For the related phono3py installation, see the corresponding page.

Installations on NSC systems

At the moment, we recommend that you install phonopy in your own account. You can check which version is the most recent at the Phonopy webpage.

Tetralith and Sigma

It is suggested that you follow the instructions on the phonopy webpage with a recent Anaconda module, using conda for the installation:

module load Anaconda/2022.05-nsc1
conda create -p /proj/PROJECT/users/USERNAME/myphonopy -c conda-forge python=3
conda activate /proj/PROJECT/users/USERNAME/myphonopy
conda install -c conda-forge phonopy

Note the use of the full path to the location of “myphonopy”, substitute with your own path. To logout from the environment, type “conda deactivate”.

To also install phono3py add

conda install -c conda-forge phono3py