Locating the position of certain band (from band str.) in bulk config?

[Ash]

Is it possible to determine the location of the particular band from band structure in the bulk configuration?

[Nordland]

What do you mean by position? The band structure is a function for the eigenvalues through a path in the Brillouin zone. So what do you mean with a specific bands location?

[Ash]

Sorry for confusing You !!
I meant the one similar to shown in Figure 3 of attached file. 

[zh]

You may try the analysis of the local density of states for a given k and band index (i.e., corresponds to a given eigenvalue).

[Anders Blom]

The caption of Fig 3 says "space charge distribution", which one first would interpret as the electron density (thus, the caption is a big ambiguous). Looking closer at the plot it's clear that what it really shows are most likely the Bloch states (at Gamma, I think) of various bands. These can easily be computed with ATK following one of our tutorials.

[Ash]

Thanks Anders for correcting the figure. It certainly solved my problem.