Dear Experts,
I am performing hydrogen molecules sensor calculation in a H-passivated nanoribbons system. When I'm running the PDOS calculation, the H-s orbital contribution for passivated and the adsorbed atoms cannot be distinguished in the PDOS plot as the output in given for cumulative H-s orbital.
I want to know the approach through which we can visualize the orbital contribution of passivated and adsorbed hydrogen atoms in the PDOS calculations.
Thanks in advance