[CP2K-user] Kohn Sham Hamiltonian

[Elaheh Akhoundi]

Hello,
I have extracted the Kohn Sham Hamiltonian using   &AO_MATRICES HIGH 
----> KOHN_SHAM_MATRIX .TRUE. , in order to plot the band structure myself 
using the Hamiltonian matrix. However, the format of the output is not 
clear to me. I believe each block of Hamiltonian corresponds to the 
interaction of the primary cell with a specific neigboring cell. but it is 
not specified in the output file which block is related to which 
neighboring cell, i.e. what are the cell indices corresponding to each 
block. Is there any way that I can access the cell indices related to each 
Hamiltonian block?
I would greatly appreciate your help.
kind regards,
Elaheh Akhoundi
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