In the third and final step, the polarization energy for a COVP-POL pair (i, a) is scaled by w sp,i w sp,a , w sp,i w d,a , w d,i w sp,a , and w d,i w d,a to break it into sp!sp, sp!d, d!sp, and d!d contributions. Similarly, the COVP-CT energy for pair (i 2 metal, a 2 adsorbate) is scaled by w sp,i and w d,i to break the metal!adsorbate charge transfer into sp-and d-contributions. Likewise, the COVP-CT energy for pair (i 2 adsorbate, a 2 metal) is scaled by w sp,a and w d,a to decompose the corresponding adsorbate!metal CT energy.