aiida-phonopy

aiida-phonopy copied to clipboard

Problems with parsing data from band.hdf5 when is not set as auto

4

After using the phonopy plugin , I am using as input BAND=0.0 0.0 0.0 0.3333 0.3333 0.0 0.5 0.5 0.0 0.0 0.0 0.0 BAND_LABELS=$\Gamma$ X M $\Gamma$ BAND_POINTS=100 FORCE_CONSTANTS=READ NAC=.True....

AndresOrtegaGuerrero

bastonero

mbercx

PhonopyParser does not parse phonon eigenvectors when EIGENVECTORS=True

1

`PhonopyParser` does not attach the eigenvector of each phonon mode from mesh.yaml to qpoints_mesh BandsData object

eric-read