[Pw_forum] Valence state identification for BaTiO3

[Liwei Geng]

Dear all, 



I use atom pseudopotential files to do the scf calculation, but I can't know their valence state. Could you tell me how to identify the valence state of each ion in BaTiO3 using QE? Say, how can I know that the Ba is Ba2+ or O is O2-? 



Thanks, 

Liwei 
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