Closed farhi closed 6 years ago
The Density-Functional Perturbation Theory (DFPT) does not bring better performences, except for saving the time to generate wavefunctions. So, as it highly depends on the code used, we prefer to rely on ASE/PhonoPy to handle this exactly the same way in a generic implementation.
VASP:
however it looks like the displacements are done still, but internally which saves the generation of the wavefunctions.