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Here we investigate the mechanism of charge-disproportionation (CD) in BaBiO3(BBO) using density functional theory under different crystal symmetries and byemploying strain as an external perturbation. The competition between Bi 6sp-O2p (s-p) and O 2p-O 2p (p-p) charge-fluctuations decides the electronic groundstate, charge-disproportionation and bond-disproportionation (BD) in BBO. Anextended Hubbard Hamiltonian involving onsite (U) and long-range (V) coulombrepulsions is also employed to ascertain the microscopic conditions for theformation of the lone-pair on bismuth site. A strong tensile strain increasesp-p fluctuation and enhances negative-charge transfer (CT) character, whilestrong compressive strain favors s-p fluctuation leading to more positive-CTcharacter. Bulk BBO is at the verge of positive and negative-CT regimes.

Competing s-p and p-p fluctuations in charge-disproportionation of BaBiO3