[SIESTA-L] pdos of pz orbital

[Mehrzad Sasanpoor]

 

Hi dear siesta users,

I plot pdos of pz orbital of carbon for benzene molecule which is 
functionalized with methyl group, 

in this curve I knew which energies is dominated by pz orbitals, but I want to 
know which energy is approximately related to pz orbital of methyle group. Does 
pdos help me? 

I really  need which energy appropriated to each atom in my typical system.
Do I analyze incorrectly?




Thanks a lot for your attention