Plot band structure

Note:
This tool is used after pw.x calculation ='nscf' or 'bands' finishes. Based on code QEbandplot. Upload the filband, which is the output of bands.x. There are some other files can be used to plot the band structure, but they are not adopted here.

1. For conductors, choose "without gap". Fill in the form with the Fermi energy level as the zero energy in plot. The number can be get from the command:
grep 'the Fermi energy is' scf.out

For insulators or semiconductors, choose "with gap". Fill in the form with the index of the valence band, which can be get as flows: firstly run
grep 'number of electrons' scf.out
Then, for calculation without SOC(spin orbit coupling), which is the default, should fill in the form with the number divided by 2. Otherwise, for SOC calculation, fill in the form with the number.

2. k-point path(k-ticks,k-labels)
k-ticks are the x coordinates in the plot for the special points(integers)
k-labels are the names in the plot for the special points('gG' for Γ), should be the same number with k-ticks. You can refer to [1,2] to choose special k-points.

When the k-ticks value difference between special points is only 1, it will be recognized as a discontinuity. For the discontinuity, the x coordinates of the two k-labels in the figure is the same, and the two k-labels will be set in the form of "A|B" in the figure.