Use the plugin to support inputs of Quantum Espresso q2r.x executable.
- tested from q2r.x v5.0 onwards.
DictInput parameters of q2r.x, as a nested dictionary, mapping the input of QE. Example:
Following keywords are already taken care of by AiiDA:
'INPUT', 'fildyn': name of input dynamical matrices 'INPUT', 'flfrc': name of output force constants
parent_calculation. Use the parent PH calculation, to take the dynamical matrices and convert them in real space. Alternatively, use the parent_folder to point explicitely to the retrieved FolderData of the parent PH calculation.