[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure

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

Re: [QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure

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

Re: [QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure

__ 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

Re: [QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure

; 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 - > > > &