How to install Phonopy Code to calculate Phonon and Thermal properties

 

 

 Phonopy code is developped to calculate the phonon and thermal properties plus some other functionalities.

To install the code we need to use the conda package manager ( you can install it from here)

Installation

To install the Phonopy code using conda package manager we need to create a virtual environment and it is preferable to give the same as the code and to acces to this created environment. After we install the code and the other tools.

% conda create -n phonopy -c conda-forge

% conda activate phonopy

% (phonopy) conda install -c conda-forge phonopy

% (phonopy) export HDF5_USE_FILE_LOCKING=FALSE

% (phonopy) conda install -c conda-forge numpy scipy h5py pyyaml matplotlib-base seekpath spglib

% (phonopy) conda install -c conda-forge "libblas=*=*openblas"