Re: [QE-users] Possibility of jump in k-points in Bandstructure

2018-03-21 Thread Vahid Askarpour
Looking at the plotband.f90 code, jumps are allowed: IF (dxmod > 5*dxmod_save) THEN ! ! A big jump in dxmod is a sign that the point k(:,n) and k(:,n-1) ! are quite distant and belong to two different lines. We put them on ! the same point in the graph ! kx(n)=kx(n-1) Cheers,

[QE-users] Possibility of jump in k-points in Bandstructure

2018-03-21 Thread Vahid Askarpour
Dear QE community, I tried to reproduce the Si phonon dispersion along G-K-X-G-L in the following link (http://exciting-code.org/lithium-phonon-and-thermal-properties-si). The point K appears to be actually U. It seems that their code allows to jump from U to K (which are energetically