The bands program is used to plot band structures calculated with the Vienna Ab initio Simulation Package.
Just compile with g++ -o bands bands.cc and put the executable in your bin folder.
You will also need Gnuplot installed on your system. Version 5.0 or higher is needed because
a loop over all bands is used in the plot command.
Go to your directory that contains the band structure calculation and type bands.
The program will read the following files:
- OUTCAR (get number of k-points, bands and Fermi level)
- KPOINTS (get labels and coordinates of high-symmetry k-points)
- EIGENVAL
The program then writes segment files that contains the band structure (energy vs.
k-point for each band). It also writes the bands.plt file that contains instructions
to make the graph. As a final step run gnuplot bands.plt, this will generate the
actuall graph as bands.eps.
Silicon FCC band structure.
