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

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Agathyan
Posts: 9
Joined: Thu Jul 10, 2025 4:13 am
Affiliation: Pondicherry University

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

Post 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 268 times
2. EPW 6.0 (HDF5 Disabled)
PARAM_HDF5_Disabled_.jpg
PARAM_HDF5_Disabled_.jpg (56.82 KiB) Viewed 268 times
3. EPW 5.9 (No HDF5)
KAUST_NO_HDF5.jpg
KAUST_NO_HDF5.jpg (74.92 KiB) Viewed 268 times
Shashi
Posts: 59
Joined: Mon Feb 12, 2024 2:21 pm
Affiliation: SUNY Binghamton

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

Post 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
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