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During band structure calculations in Quantum espresso I found that the bands are coming in Linear form and not curvature. Why is this happening? Is there any explanation for this? Which parameters cause it and need correction?
$\begingroup$You have to check the set of high symmetry points used (if they correspond to the cell used) and the defined path between them.$\endgroup$
$\begingroup$@Camps Sir, I am not talking about flat bands here. I am talking about bands coming in zig zag straight lines perpendicular to x axis. As I have understood that high symmetry points might cause this, I will check it out.$\endgroup$
$\begingroup$It would be very helpful to see a plot of the bandstructure, but the most common case where this happens is when you accidentally calculate the states on a 3D k-point grid, instead of along a 1D k-point path. When you plot it, you'll just get the states at disconnected points in k-space, which your plotting program will join up with straight lines.$\endgroup$
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During band structure calculations in Quantum espresso I found that the bands are coming in Linear form and not curvature. Why is this happening? Is there any explanation for this? Which parameters cause it and need correction?