p-d hybridization= covalent bond??

Bader charge density analysis

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p-d hybridization= covalent bond??

Post by nfpczhangwei » Fri Sep 11, 2015 6:35 am

Dear all,
I find a strong p-d hybridization from DOS, can I absolutely say that the metal-oxygen bond must be covalent bond?
But I found from ELF, that the oxide display a ionic character.
I donot known where I made a mistake,

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