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

Posted: Sat Aug 12, 2023 12:39 am
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

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

Posted: Mon Aug 14, 2023 5:58 pm
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.

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

Posted: Thu Aug 17, 2023 2:27 pm
by hpaudya1
Hi Wenjiang,

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

Happy EPWing,
Hari