Simple package for setting up frozen-phonon calculations.

Before beginning, it is assumed you have performed a DFPT calculation in QE and generated a prefix.fc with q2r.x. Then there a three steps:

1. Run the inline command utility create_phonopy_yaml.py
2. Generate modulated strctures and set up scf calcs with modulation_task.py
3. Extract and process data with postproc.py

For additional details please see the readme in ~frozphonpy/examples/wse2/.

The following software and modules are required to use BGWpy.

1. python 3+ required (Python 2.7 no longer supported)
2. BGWpy (https://github.com/BerkeleyGW/BGWpy)
3. Phonopy (https://github.com/BerkeleyGW/BGWpy)

Once you have satisfied the requirements, install the package with

python setup.py install