Hi QE users,
I'm using QE 6.7MaX. I plotted a band structure with the following k point
coordinates.
K_POINTS {crystal_b}
2
0.375 0.375 0.750 2000 !K
0.000 0.000 0.000 2000 !G
I'd like to include specific k points in between K and G such that the expected
band crossing at the red dot in
Hello Truman,
the bands code decides if bands cross or avoid using different criteria: per
default symmetry, otherwise overlap of wfcs. You may getting a better result by
changing criteria. Otherwise, you'll have to find the intersection point by
hand, but if it incommensurate with the grid, it
__
From: users on behalf of Lorenzo
Paulatto
Sent: Tuesday, March 23, 2021 12:53 AM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Dense k Point Interpolation to Arbitrary k Points for a
Band Structure
- External Email -
Hello Truman,
the bands code decides
; From: users on behalf of Lorenzo
> Paulatto
> Sent: Tuesday, March 23, 2021 12:53 AM
> To: Quantum ESPRESSO users Forum
> Subject: Re: [QE-users] Dense k Point Interpolation to Arbitrary k Points for
> a Band Structure
>
>
>
> - External Email -
>
>
>
&