Closed JaGeo closed 1 year ago
Potentially add is_band_connection=True to run_bandstructure(). https://github.com/materialsproject/atomate2/blob/72b78c79427ee94b4954e8ff1fa5e07cecf803ce/src/atomate2/vasp/schemas/phonons.py#L308
is_band_connection=True
run_bandstructure()
(This is more a reminder to myself to fix and test this)
I could also add this and the computation of the the eigenvectors etc to the kwargs. This would however prevent getting the json for the phonon website.
Has this been resolved now?
Yes.
Potentially add
is_band_connection=True
torun_bandstructure()
. https://github.com/materialsproject/atomate2/blob/72b78c79427ee94b4954e8ff1fa5e07cecf803ce/src/atomate2/vasp/schemas/phonons.py#L308(This is more a reminder to myself to fix and test this)
I could also add this and the computation of the the eigenvectors etc to the kwargs. This would however prevent getting the json for the phonon website.