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Does enabling HDF5 in EPW 6.0 affect results compared to EPW 5.9?

Posted: Tue Oct 28, 2025 11:57 am
by Agathyan
Dear all,

I would like to ask if there is any significant difference between the results obtained from EPW 5.9 and EPW 6.0, particularly regarding the HDF5 build and exciton–phonon coupling implementation.

The reason for my doubt is the appearance of an additional message in EPW 6.0 after successful Wannierization, related to HDF5 build configuration, which is absent in EPW 5.9.

1. EPW 6.0 (HDF5 Enabled)
PARAM_HDF5_Enabled_.jpg
PARAM_HDF5_Enabled_.jpg (53.58 KiB) Viewed 1867 times
2. EPW 6.0 (HDF5 Disabled)
PARAM_HDF5_Disabled_.jpg
PARAM_HDF5_Disabled_.jpg (56.82 KiB) Viewed 1867 times
3. EPW 5.9 (No HDF5)
KAUST_NO_HDF5.jpg
KAUST_NO_HDF5.jpg (74.92 KiB) Viewed 1867 times

Re: Does enabling HDF5 in EPW 6.0 affect results compared to EPW 5.9?

Posted: Wed Oct 29, 2025 10:16 pm
by Shashi
Hi Agathyan,

There will be no significant difference in results. The exciton-phonon coupling only works when you enable HDF5.

In EPW5.9, the exciton-phonon was not implemented. The warning is added to notify the user that if you want to use exciton-phonon, you need to use HDF5.

Without seeing any difference in your results, it will be hard to suggest.

Regards,
Shashi