Following the part of the output from Quantum ESPRESSO,
Atom # 1: total charge = 9.9232, s = 2.0582,
Atom # 1: total charge = 9.9232, p = 6.5875, pz= 2.1959, px= 2.1958, py= 2.1958,
Atom # 1: total charge = 9.9232, d = 1.2775, dz2= 0.2242, dxz= 0.2773, dyz= 0.2773, dx2-y2= 0.2253, dxy= 0.2734
Is it correct to add/subtract the number of electrons from the valence orbital, from the particular atom to get its partial charge?
Thanks in advance.