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
The electron band using Wannier code look very different that from EPW code
Moderator: stiwari
Re: The electron band using Wannier code look very different that from EPW code
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.
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
Hi Wenjiang,
On top of Sabya's question, could you send us your inputs/outputs and plots?
Happy EPWing,
Hari
On top of Sabya's question, could you send us your inputs/outputs and plots?
Happy EPWing,
Hari