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Bug related to piezoelectric constants

Posted: Wed Dec 23, 2020 4:11 pm
by jzwanzig
Hi, the following may be a bug, I've uncovered it as I work on the ffield tutorial.

In a DFPT run, in order obtain the clamped and relaxed piezoelectric constants, it works if the phonons, strains, and electric fields are computed in a single dataset. However, it fails if the electric field perturbation is computed separately and then included through mrgddb. This seems like it can't be the expected response.

Any suggestions?