Noncompensated n-p codoping by different element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n-p codoping case by simultaneously substitute the cation and anion pair with the same element, which is implemented by using group VA element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping. (C) 2015 Elsevier B.V. All rights reserved.