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In the article by Ma~\emph{et al.}~[Phys.~Rev.~A {\bf 94}, 052709 (2016)],$\gamma$-ray spectra for positron annihilation on molecules were calculated inthe independent-particle approximation with the positron wavefunction set tounity. Based on comparisons with experimental data they concluded that innervalence electrons play a dominant role in positron annihilation. Theseconclusions are incorrect and resulted from fallacious analysis that ignoredthe known effect of the positron wavefunction on the spectra.

Comment on "Gamma-ray spectra from low-energy positron annihilation processes in molecules"