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Hi.
I want to calculate bandstructure of a small cluster in a supercell. After i optimized it, I run a self-consistent calculation with ICHARGE=2 at gamma point only. Then with ICHARGE=11and 10 k-points, I run a non-selfconsistent calculation to get the bandstructure. After that, I viewed the bandstructure with p4vasp. I viewed band and dos together. The bandstructure looks ok but there were only a few peaks for dos. As I know, each line in bandstructure represents each peak of DOS.

Also, my teammate obtained only a single peak of DOS for cluster calculation. What should be the mistake we made?

Thanks.

Is the cluser a free luster or some cluster adsorbed on a surface? Free clusters are like (more or less large) molecules: they have a discrete spectrum, not a DOS. for free clusters, use the Gamma point only, ISMEAR=0 (Gaussian) , and plot the line spectrum.