Prevent phono3py-kaccum from reading POSCAR

This commit is contained in:
Atsushi Togo 2025-07-22 15:11:57 +09:00
parent 9ddbbbfa56
commit 4181111479
1 changed files with 1 additions and 0 deletions

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@ -229,6 +229,7 @@ def _read_files(args: argparse.Namespace) -> tuple[h5py.File, PhonopyAtoms | Non
cell_info = collect_cell_info(
supercell_matrix=np.eye(3, dtype=int),
phonopy_yaml_cls=Phono3pyYaml,
load_phonopy_yaml=True,
)
cell_filename = cell_info.optional_structure_info[0]
print(f'# Crystal structure was read from "{cell_filename}".')