The electron band using Wannier code look very different that from EPW code

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Wenjiang
Posts: 2
Joined: Fri Aug 11, 2023 3:59 pm
Affiliation: Peking University

The electron band using Wannier code look very different that from EPW code

Post by Wenjiang »

Hello, users and developers,
I'm now using EPW code. And I face some strange questions.
(1) First, I do a qe calculation to obtain the electron band;
(2) Second, I only choose Wannier code to interpolate my band structures. It works very well;
(3) Third, I decide to run Epw code, however the band looks very poor.

I do not know what happens. Can you give me some suggestions?

Thank you very much

Best wishes

Wenjiang

stiwari
Posts: 29
Joined: Mon Jun 26, 2023 9:48 pm
Affiliation: UT Austin

Re: The electron band using Wannier code look very different that from EPW code

Post by stiwari »

Hi,

EPW basically calls Wannier90 for Wannierization. Therefore, it is highly unlikely that a similar calculation using the two codes for bandstrucutre interpolation would result in a different result.

Did you use same number of Wannierization steps and interpolation grids for both the EPW and Wannier90 calculations?

Best,
Sabya.

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: The electron band using Wannier code look very different that from EPW code

Post by hpaudya1 »

Hi Wenjiang,

On top of Sabya's question, could you send us your inputs/outputs and plots?

Happy EPWing,
Hari

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