kmesh_get_bvector: Not enough bvectors found

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mkmr484
Posts: 2
Joined: Tue Jul 26, 2022 10:05 am
Affiliation: INST, Mohali

kmesh_get_bvector: Not enough bvectors found

Post by mkmr484 »

Dear Experts,
I am very new to QE and wannier90.
I am using QE-7.1 version.
I am using EPW module for 2D material.
I am getting the following error while performing the last step for epw: epw.x < epw.in > epw.out

kmesh_get_bvector: Not enough bvectors found
Error: examine the output/error file for details


So in order to check, I have performed a separate band structure calculation with wannier-90.3.1.0 version. I got the same error. So I have added kmesh_tol=0.0001 in .win file and got the desired band structure in wannier90.3.1.0.
Note I am using "auto_projections = .true. and scdm_proj=.true." for band structure calculation.

However, when I have added the same kmesh_tol=0.0001 in epw.in file it shows an error.

I want epw to read band structure data obtained from wannier90.3.1.0 to avoid unnecessary errors. How to do that?

Also, I am wondering if there is any specific tag to add kmesh_tol=0.0001 in epw.in file and also auto_projections = .true.

Any kind of help will be very much appreciated.

hpaudya1
Posts: 145
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: kmesh_get_bvector: Not enough bvectors found

Post by hpaudya1 »

Hi mkmr484,

Please contact the Wannier90 team for questions related to Wannier90 or pw2wanniwe90 at http://www.wannier.org/support/

Also, you may need to read the Wannier90 manual and follow the Wannier90 tutorials.

And please sign your name and affiliation in your future posts.

Best,
Hari

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