Band index and Bloch states

[GJK]

Hi,

The bloch states tutorial is calculated for ZGNR complete unit cell for the valence and conduction band.

How to calculate the bloch states between any two atoms in doped or bare ZGNR??

Eg If we want to compute the bloch states for nitrogen and carbon atom (nitrogen is doped in ZGNR) THEN HOW TO COMPUTE IT???

[zh]

From question, it seems that you misunderstood the Bloch state. (see here: https://en.wikipedia.org/wiki/Bloch_wave)

I think what you are looking for is the defect states of dopants.  First, you may find out the energy positions of the defect levels from the atom-projected DOSs or the "fat"-band structure analysis. And then, you may perform the Local Device Density of States  calculation for a given energy (or energy range for the defect levels) and k point. From the visualization of local density of states, you may see distribution of defect states in real space.