Dear muthu,
I believe the issue occurs because the band index from wavefunction.h5 does not align with deformation.h5.
In rare cases, even when using the same cutoff energy to extract the deformation potential and overlap matrix, the band indices may still be mismatched.
From my experience, the most reliable approach is to first extract the overlap matrix using a reasonable cutoff energy and then use the corresponding band indices to generate the deformation.h5 file.
In your case:
When generating deformation.h5, try: amset deform -b 13:16 …
Best regards,
Zane