Error: Ir. reps. are required for the Gamma point modes

[PujaAdhikari]

Hi,
I tried to follow the example alpha-SiO2. While using the following command I get the error.
phonopy-ir --ir_reps --linewidth_hdf5="kappa-m484848-g0.hdf5" --linewidth_temperature=300

The error looks like:
Frequencies and eigenvectors read from "mesh.hdf5"
Structure read from "phonopy.yaml"
Atomic masses read from "phonopy.yaml"

Linewidths read from "kappa-m484848-g0.hdf5" (T = 300.00 K)
Traceback (most recent call last):
File "/global/homes/a/adhikari/Phonopy-Spectroscopy/Scripts/phonopy-ir", line 67, in
linewidths, irRepData = Phonopy_LoadData_Optional(args);
File "/global/homes/a/adhikari/Phonopy-Spectroscopy/SpectroscoPy/CLI/Phonopy.py", line 296, in Phonopy_LoadData_Optional
irRepData = ReadIrRepsYAML(filePath = args.IrRepsYAML);
File "/global/homes/a/adhikari/Phonopy-Spectroscopy/SpectroscoPy/Interfaces/Phonopy.py", line 219, in ReadIrRepsYAML
raise Exception("Error: Ir. reps. are required for the Gamma point modes.");
Exception: Error: Ir. reps. are required for the Gamma point modes.

Please help me in this matter.

Thank you,
Puja

[JMSkelton]

Hi Puja,

Thanks for the bug report.

Apologies - there was a coding mistake in the routine that reads the Phonopy irreps.yaml file.

I have just pushed a fix. Could you pull it and check the example now runs correctly? If so, I'll close the issue.

Best wishes,

Jonathan

[PujaAdhikari]

Hi Jonathan,

Thank you very much for the quick reply. The problem is solved.

Thank you,
Puja